git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7355 f3b2605a-c512-4ea7-a41b-209d697bcdaa
This commit is contained in:
sjplimp
@ -141,8 +141,8 @@ allowed, but that should be sufficient for most use cases.
|
|||||||
<P>This section describes the structure of a typical LAMMPS input script.
|
<P>This section describes the structure of a typical LAMMPS input script.
|
||||||
The "examples" directory in the LAMMPS distribution contains many
|
The "examples" directory in the LAMMPS distribution contains many
|
||||||
sample input scripts; the corresponding problems are discussed in
|
sample input scripts; the corresponding problems are discussed in
|
||||||
<A HREF = "Section_example.html">this section</A>, and animated on the <A HREF = "http://lammps.sandia.gov">LAMMPS WWW
|
<A HREF = "Section_example.html">Section_example</A>, and animated on the <A HREF = "http://lammps.sandia.gov">LAMMPS
|
||||||
Site</A>.
|
WWW Site</A>.
|
||||||
</P>
|
</P>
|
||||||
<P>A LAMMPS input script typically has 4 parts:
|
<P>A LAMMPS input script typically has 4 parts:
|
||||||
</P>
|
</P>
|
||||||
|
|||||||
@ -137,8 +137,8 @@ allowed, but that should be sufficient for most use cases.
|
|||||||
This section describes the structure of a typical LAMMPS input script.
|
This section describes the structure of a typical LAMMPS input script.
|
||||||
The "examples" directory in the LAMMPS distribution contains many
|
The "examples" directory in the LAMMPS distribution contains many
|
||||||
sample input scripts; the corresponding problems are discussed in
|
sample input scripts; the corresponding problems are discussed in
|
||||||
"this section"_Section_example.html, and animated on the "LAMMPS WWW
|
"Section_example"_Section_example.html, and animated on the "LAMMPS
|
||||||
Site"_lws.
|
WWW Site"_lws.
|
||||||
|
|
||||||
A LAMMPS input script typically has 4 parts:
|
A LAMMPS input script typically has 4 parts:
|
||||||
|
|
||||||
|
|||||||
@ -36,7 +36,7 @@
|
|||||||
6.21 <A HREF = "#howto_21">Calculating viscosity</A> <BR>
|
6.21 <A HREF = "#howto_21">Calculating viscosity</A> <BR>
|
||||||
|
|
||||||
<P>The example input scripts included in the LAMMPS distribution and
|
<P>The example input scripts included in the LAMMPS distribution and
|
||||||
highlighted in <A HREF = "Section_example.html">this section</A> also show how to
|
highlighted in <A HREF = "Section_example.html">Section_example</A> also show how to
|
||||||
setup and run various kinds of simulations.
|
setup and run various kinds of simulations.
|
||||||
</P>
|
</P>
|
||||||
<HR>
|
<HR>
|
||||||
@ -179,7 +179,7 @@ used in the CHARMM, AMBER, and DREIDING force fields. Setting
|
|||||||
coefficients is done in the input data file via the
|
coefficients is done in the input data file via the
|
||||||
<A HREF = "read_data.html">read_data</A> command or in the input script with
|
<A HREF = "read_data.html">read_data</A> command or in the input script with
|
||||||
commands like <A HREF = "pair_coeff.html">pair_coeff</A> or
|
commands like <A HREF = "pair_coeff.html">pair_coeff</A> or
|
||||||
<A HREF = "bond_coeff.html">bond_coeff</A>. See <A HREF = "Section_tools.html">this section</A>
|
<A HREF = "bond_coeff.html">bond_coeff</A>. See <A HREF = "Section_tools.html">Section_tools</A>
|
||||||
for additional tools that can use CHARMM or AMBER to assign force
|
for additional tools that can use CHARMM or AMBER to assign force
|
||||||
field coefficients and convert their output into LAMMPS input.
|
field coefficients and convert their output into LAMMPS input.
|
||||||
</P>
|
</P>
|
||||||
@ -633,8 +633,8 @@ processors to start up another program). In the latter case the
|
|||||||
stand-alone code could communicate with LAMMPS thru files that the
|
stand-alone code could communicate with LAMMPS thru files that the
|
||||||
command writes and reads.
|
command writes and reads.
|
||||||
</P>
|
</P>
|
||||||
<P>See <A HREF = "Section_modify.html">this section</A> of the documentation for how to
|
<P>See <A HREF = "Section_modify.html">Section_modify</A> of the documentation for how
|
||||||
add a new command to LAMMPS.
|
to add a new command to LAMMPS.
|
||||||
</P>
|
</P>
|
||||||
<P>(3) Use LAMMPS as a library called by another code. In this case the
|
<P>(3) Use LAMMPS as a library called by another code. In this case the
|
||||||
other code is the driver and calls LAMMPS as needed. Or a wrapper
|
other code is the driver and calls LAMMPS as needed. Or a wrapper
|
||||||
@ -669,8 +669,8 @@ example, from C++ you could create one (or more) "instances" of
|
|||||||
LAMMPS, pass it an input script to process, or execute individual
|
LAMMPS, pass it an input script to process, or execute individual
|
||||||
commands, all by invoking the correct class methods in LAMMPS. From C
|
commands, all by invoking the correct class methods in LAMMPS. From C
|
||||||
or Fortran you can make function calls to do the same things. See
|
or Fortran you can make function calls to do the same things. See
|
||||||
<A HREF = "Section_python.html">this section</A> of the manual for a description of
|
<A HREF = "Section_python.html">Section_python</A> of the manual for a description
|
||||||
the Python wrapper provided with LAMMPS that operates through the
|
of the Python wrapper provided with LAMMPS that operates through the
|
||||||
LAMMPS library interface.
|
LAMMPS library interface.
|
||||||
</P>
|
</P>
|
||||||
<P>The files src/library.cpp and library.h contain the C-style interface
|
<P>The files src/library.cpp and library.h contain the C-style interface
|
||||||
|
|||||||
@ -33,7 +33,7 @@ This section describes how to perform common tasks using LAMMPS.
|
|||||||
6.21 "Calculating viscosity"_#howto_21 :all(b)
|
6.21 "Calculating viscosity"_#howto_21 :all(b)
|
||||||
|
|
||||||
The example input scripts included in the LAMMPS distribution and
|
The example input scripts included in the LAMMPS distribution and
|
||||||
highlighted in "this section"_Section_example.html also show how to
|
highlighted in "Section_example"_Section_example.html also show how to
|
||||||
setup and run various kinds of simulations.
|
setup and run various kinds of simulations.
|
||||||
|
|
||||||
:line
|
:line
|
||||||
@ -175,7 +175,7 @@ used in the CHARMM, AMBER, and DREIDING force fields. Setting
|
|||||||
coefficients is done in the input data file via the
|
coefficients is done in the input data file via the
|
||||||
"read_data"_read_data.html command or in the input script with
|
"read_data"_read_data.html command or in the input script with
|
||||||
commands like "pair_coeff"_pair_coeff.html or
|
commands like "pair_coeff"_pair_coeff.html or
|
||||||
"bond_coeff"_bond_coeff.html. See "this section"_Section_tools.html
|
"bond_coeff"_bond_coeff.html. See "Section_tools"_Section_tools.html
|
||||||
for additional tools that can use CHARMM or AMBER to assign force
|
for additional tools that can use CHARMM or AMBER to assign force
|
||||||
field coefficients and convert their output into LAMMPS input.
|
field coefficients and convert their output into LAMMPS input.
|
||||||
|
|
||||||
@ -628,8 +628,8 @@ processors to start up another program). In the latter case the
|
|||||||
stand-alone code could communicate with LAMMPS thru files that the
|
stand-alone code could communicate with LAMMPS thru files that the
|
||||||
command writes and reads.
|
command writes and reads.
|
||||||
|
|
||||||
See "this section"_Section_modify.html of the documentation for how to
|
See "Section_modify"_Section_modify.html of the documentation for how
|
||||||
add a new command to LAMMPS.
|
to add a new command to LAMMPS.
|
||||||
|
|
||||||
(3) Use LAMMPS as a library called by another code. In this case the
|
(3) Use LAMMPS as a library called by another code. In this case the
|
||||||
other code is the driver and calls LAMMPS as needed. Or a wrapper
|
other code is the driver and calls LAMMPS as needed. Or a wrapper
|
||||||
@ -663,8 +663,8 @@ example, from C++ you could create one (or more) "instances" of
|
|||||||
LAMMPS, pass it an input script to process, or execute individual
|
LAMMPS, pass it an input script to process, or execute individual
|
||||||
commands, all by invoking the correct class methods in LAMMPS. From C
|
commands, all by invoking the correct class methods in LAMMPS. From C
|
||||||
or Fortran you can make function calls to do the same things. See
|
or Fortran you can make function calls to do the same things. See
|
||||||
"this section"_Section_python.html of the manual for a description of
|
"Section_python"_Section_python.html of the manual for a description
|
||||||
the Python wrapper provided with LAMMPS that operates through the
|
of the Python wrapper provided with LAMMPS that operates through the
|
||||||
LAMMPS library interface.
|
LAMMPS library interface.
|
||||||
|
|
||||||
The files src/library.cpp and library.h contain the C-style interface
|
The files src/library.cpp and library.h contain the C-style interface
|
||||||
|
|||||||
@ -45,9 +45,9 @@ parallel machines and Beowulf-style clusters.
|
|||||||
|
|
||||||
|
|
||||||
<P>LAMMPS can model systems with only a few particles up to millions or
|
<P>LAMMPS can model systems with only a few particles up to millions or
|
||||||
billions. See <A HREF = "Section_perf.html">this section</A> for information on LAMMPS
|
billions. See <A HREF = "Section_perf.html">Section_perf</A> for information on
|
||||||
performance and scalability, or the Benchmarks section of the <A HREF = "http://lammps.sandia.gov">LAMMPS
|
LAMMPS performance and scalability, or the Benchmarks section of the
|
||||||
WWW Site</A>.
|
<A HREF = "http://lammps.sandia.gov">LAMMPS WWW Site</A>.
|
||||||
</P>
|
</P>
|
||||||
<P>LAMMPS is a freely-available open-source code, distributed under the
|
<P>LAMMPS is a freely-available open-source code, distributed under the
|
||||||
terms of the <A HREF = "http://www.gnu.org/copyleft/gpl.html">GNU Public License</A>, which means you can use or
|
terms of the <A HREF = "http://www.gnu.org/copyleft/gpl.html">GNU Public License</A>, which means you can use or
|
||||||
@ -58,13 +58,14 @@ discussion of the open-source philosophy.
|
|||||||
|
|
||||||
<P>LAMMPS is designed to be easy to modify or extend with new
|
<P>LAMMPS is designed to be easy to modify or extend with new
|
||||||
capabilities, such as new force fields, atom types, boundary
|
capabilities, such as new force fields, atom types, boundary
|
||||||
conditions, or diagnostics. See <A HREF = "Section_modify.html">this section</A> for
|
conditions, or diagnostics. See <A HREF = "Section_modify.html">Section_modify</A>
|
||||||
more details.
|
for more details.
|
||||||
</P>
|
</P>
|
||||||
<P>The current version of LAMMPS is written in C++. Earlier versions
|
<P>The current version of LAMMPS is written in C++. Earlier versions
|
||||||
were written in F77 and F90. See <A HREF = "Section_history.html">this section</A>
|
were written in F77 and F90. See
|
||||||
for more information on different versions. All versions can be
|
<A HREF = "Section_history.html">Section_history</A> for more information on
|
||||||
downloaded from the <A HREF = "http://lammps.sandia.gov">LAMMPS WWW Site</A>.
|
different versions. All versions can be downloaded from the <A HREF = "http://lammps.sandia.gov">LAMMPS
|
||||||
|
WWW Site</A>.
|
||||||
</P>
|
</P>
|
||||||
<P>LAMMPS was originally developed under a US Department of Energy CRADA
|
<P>LAMMPS was originally developed under a US Department of Energy CRADA
|
||||||
(Cooperative Research and Development Agreement) between two DOE labs
|
(Cooperative Research and Development Agreement) between two DOE labs
|
||||||
@ -97,8 +98,8 @@ LAMMPS are listed in <A HREF = "#intro_5">this section</A>.
|
|||||||
<P>This section highlights LAMMPS features, with pointers to specific
|
<P>This section highlights LAMMPS features, with pointers to specific
|
||||||
commands which give more details. If LAMMPS doesn't have your
|
commands which give more details. If LAMMPS doesn't have your
|
||||||
favorite interatomic potential, boundary condition, or atom type, see
|
favorite interatomic potential, boundary condition, or atom type, see
|
||||||
<A HREF = "Section_modify.html">this section</A>, which describes how you can add it to
|
<A HREF = "Section_modify.html">Section_modify</A>, which describes how you can add
|
||||||
LAMMPS.
|
it to LAMMPS.
|
||||||
</P>
|
</P>
|
||||||
<H4>General features
|
<H4>General features
|
||||||
</H4>
|
</H4>
|
||||||
@ -317,7 +318,7 @@ section</A> can assist in this process.
|
|||||||
post-process these files with their own analysis tools or re-format
|
post-process these files with their own analysis tools or re-format
|
||||||
them for input into other programs, including visualization packages.
|
them for input into other programs, including visualization packages.
|
||||||
If you are convinced you need to compute something on-the-fly as
|
If you are convinced you need to compute something on-the-fly as
|
||||||
LAMMPS runs, see <A HREF = "Section_modify.html">this section</A> for a discussion
|
LAMMPS runs, see <A HREF = "Section_modify.html">Section_modify</A> for a discussion
|
||||||
of how you can use the <A HREF = "dump.html">dump</A> and <A HREF = "compute.html">compute</A> and
|
of how you can use the <A HREF = "dump.html">dump</A> and <A HREF = "compute.html">compute</A> and
|
||||||
<A HREF = "fix.html">fix</A> commands to print out data of your choosing. Keep in
|
<A HREF = "fix.html">fix</A> commands to print out data of your choosing. Keep in
|
||||||
mind that complicated computations can slow down the molecular
|
mind that complicated computations can slow down the molecular
|
||||||
@ -339,7 +340,7 @@ following packages:
|
|||||||
<LI><A HREF = "http://www.openrasmol.org">RasMol</A>
|
<LI><A HREF = "http://www.openrasmol.org">RasMol</A>
|
||||||
</UL>
|
</UL>
|
||||||
<P>Other features that LAMMPS does not yet (and may never) support are
|
<P>Other features that LAMMPS does not yet (and may never) support are
|
||||||
discussed in <A HREF = "Section_history.html">this section</A>.
|
discussed in <A HREF = "Section_history.html">Section_history</A>.
|
||||||
</P>
|
</P>
|
||||||
<P>Finally, these are freely-available molecular dynamics codes, most of
|
<P>Finally, these are freely-available molecular dynamics codes, most of
|
||||||
them parallel, which may be well-suited to the problems you want to
|
them parallel, which may be well-suited to the problems you want to
|
||||||
@ -433,7 +434,7 @@ directory.
|
|||||||
|
|
||||||
<LI>The tools sub-directory of the LAMMPS distribution has various
|
<LI>The tools sub-directory of the LAMMPS distribution has various
|
||||||
stand-alone codes for pre- and post-processing of LAMMPS data. More
|
stand-alone codes for pre- and post-processing of LAMMPS data. More
|
||||||
details are given in <A HREF = "Section_tools.html">this section</A>. If you write
|
details are given in <A HREF = "Section_tools.html">Section_tools</A>. If you write
|
||||||
a new tool that users will find useful, it can be added to the LAMMPS
|
a new tool that users will find useful, it can be added to the LAMMPS
|
||||||
distribution.
|
distribution.
|
||||||
|
|
||||||
@ -528,8 +529,8 @@ and efforts.
|
|||||||
<LI>Metin Aktulga (LBL), hmaktulga at lbl.gov, USER-REAXC package for C version of ReaxFF
|
<LI>Metin Aktulga (LBL), hmaktulga at lbl.gov, USER-REAXC package for C version of ReaxFF
|
||||||
<LI>Georg Gunzenmuller (EMI), georg.ganzenmueller at emi.fhg.de, USER-SPH package
|
<LI>Georg Gunzenmuller (EMI), georg.ganzenmueller at emi.fhg.de, USER-SPH package
|
||||||
</UL>
|
</UL>
|
||||||
<P>As discussed in <A HREF = "Section_history.html">this section</A>, LAMMPS originated
|
<P>As discussed in <A HREF = "Section_history.html">Section_history</A>, LAMMPS
|
||||||
as a cooperative project between DOE labs and industrial
|
originated as a cooperative project between DOE labs and industrial
|
||||||
partners. Folks involved in the design and testing of the original
|
partners. Folks involved in the design and testing of the original
|
||||||
version of LAMMPS were the following:
|
version of LAMMPS were the following:
|
||||||
</P>
|
</P>
|
||||||
|
|||||||
@ -41,9 +41,9 @@ parallel machines and Beowulf-style clusters.
|
|||||||
:link(mpi,http://www-unix.mcs.anl.gov/mpi)
|
:link(mpi,http://www-unix.mcs.anl.gov/mpi)
|
||||||
|
|
||||||
LAMMPS can model systems with only a few particles up to millions or
|
LAMMPS can model systems with only a few particles up to millions or
|
||||||
billions. See "this section"_Section_perf.html for information on LAMMPS
|
billions. See "Section_perf"_Section_perf.html for information on
|
||||||
performance and scalability, or the Benchmarks section of the "LAMMPS
|
LAMMPS performance and scalability, or the Benchmarks section of the
|
||||||
WWW Site"_lws.
|
"LAMMPS WWW Site"_lws.
|
||||||
|
|
||||||
LAMMPS is a freely-available open-source code, distributed under the
|
LAMMPS is a freely-available open-source code, distributed under the
|
||||||
terms of the "GNU Public License"_gnu, which means you can use or
|
terms of the "GNU Public License"_gnu, which means you can use or
|
||||||
@ -54,13 +54,14 @@ discussion of the open-source philosophy.
|
|||||||
|
|
||||||
LAMMPS is designed to be easy to modify or extend with new
|
LAMMPS is designed to be easy to modify or extend with new
|
||||||
capabilities, such as new force fields, atom types, boundary
|
capabilities, such as new force fields, atom types, boundary
|
||||||
conditions, or diagnostics. See "this section"_Section_modify.html for
|
conditions, or diagnostics. See "Section_modify"_Section_modify.html
|
||||||
more details.
|
for more details.
|
||||||
|
|
||||||
The current version of LAMMPS is written in C++. Earlier versions
|
The current version of LAMMPS is written in C++. Earlier versions
|
||||||
were written in F77 and F90. See "this section"_Section_history.html
|
were written in F77 and F90. See
|
||||||
for more information on different versions. All versions can be
|
"Section_history"_Section_history.html for more information on
|
||||||
downloaded from the "LAMMPS WWW Site"_lws.
|
different versions. All versions can be downloaded from the "LAMMPS
|
||||||
|
WWW Site"_lws.
|
||||||
|
|
||||||
LAMMPS was originally developed under a US Department of Energy CRADA
|
LAMMPS was originally developed under a US Department of Energy CRADA
|
||||||
(Cooperative Research and Development Agreement) between two DOE labs
|
(Cooperative Research and Development Agreement) between two DOE labs
|
||||||
@ -93,8 +94,8 @@ LAMMPS are listed in "this section"_#intro_5.
|
|||||||
This section highlights LAMMPS features, with pointers to specific
|
This section highlights LAMMPS features, with pointers to specific
|
||||||
commands which give more details. If LAMMPS doesn't have your
|
commands which give more details. If LAMMPS doesn't have your
|
||||||
favorite interatomic potential, boundary condition, or atom type, see
|
favorite interatomic potential, boundary condition, or atom type, see
|
||||||
"this section"_Section_modify.html, which describes how you can add it to
|
"Section_modify"_Section_modify.html, which describes how you can add
|
||||||
LAMMPS.
|
it to LAMMPS.
|
||||||
|
|
||||||
General features :h4
|
General features :h4
|
||||||
|
|
||||||
@ -312,7 +313,7 @@ Similarly, LAMMPS creates output files in a simple format. Most users
|
|||||||
post-process these files with their own analysis tools or re-format
|
post-process these files with their own analysis tools or re-format
|
||||||
them for input into other programs, including visualization packages.
|
them for input into other programs, including visualization packages.
|
||||||
If you are convinced you need to compute something on-the-fly as
|
If you are convinced you need to compute something on-the-fly as
|
||||||
LAMMPS runs, see "this section"_Section_modify.html for a discussion
|
LAMMPS runs, see "Section_modify"_Section_modify.html for a discussion
|
||||||
of how you can use the "dump"_dump.html and "compute"_compute.html and
|
of how you can use the "dump"_dump.html and "compute"_compute.html and
|
||||||
"fix"_fix.html commands to print out data of your choosing. Keep in
|
"fix"_fix.html commands to print out data of your choosing. Keep in
|
||||||
mind that complicated computations can slow down the molecular
|
mind that complicated computations can slow down the molecular
|
||||||
@ -334,7 +335,7 @@ following packages:
|
|||||||
"RasMol"_http://www.openrasmol.org :ul
|
"RasMol"_http://www.openrasmol.org :ul
|
||||||
|
|
||||||
Other features that LAMMPS does not yet (and may never) support are
|
Other features that LAMMPS does not yet (and may never) support are
|
||||||
discussed in "this section"_Section_history.html.
|
discussed in "Section_history"_Section_history.html.
|
||||||
|
|
||||||
Finally, these are freely-available molecular dynamics codes, most of
|
Finally, these are freely-available molecular dynamics codes, most of
|
||||||
them parallel, which may be well-suited to the problems you want to
|
them parallel, which may be well-suited to the problems you want to
|
||||||
@ -422,7 +423,7 @@ directory. :l
|
|||||||
|
|
||||||
The tools sub-directory of the LAMMPS distribution has various
|
The tools sub-directory of the LAMMPS distribution has various
|
||||||
stand-alone codes for pre- and post-processing of LAMMPS data. More
|
stand-alone codes for pre- and post-processing of LAMMPS data. More
|
||||||
details are given in "this section"_Section_tools.html. If you write
|
details are given in "Section_tools"_Section_tools.html. If you write
|
||||||
a new tool that users will find useful, it can be added to the LAMMPS
|
a new tool that users will find useful, it can be added to the LAMMPS
|
||||||
distribution. :l
|
distribution. :l
|
||||||
|
|
||||||
@ -513,8 +514,8 @@ Christoph Kloss (JKU), Christoph.Kloss at jku.at, USER-LIGGGHTS package for gran
|
|||||||
Metin Aktulga (LBL), hmaktulga at lbl.gov, USER-REAXC package for C version of ReaxFF
|
Metin Aktulga (LBL), hmaktulga at lbl.gov, USER-REAXC package for C version of ReaxFF
|
||||||
Georg Gunzenmuller (EMI), georg.ganzenmueller at emi.fhg.de, USER-SPH package :ul
|
Georg Gunzenmuller (EMI), georg.ganzenmueller at emi.fhg.de, USER-SPH package :ul
|
||||||
|
|
||||||
As discussed in "this section"_Section_history.html, LAMMPS originated
|
As discussed in "Section_history"_Section_history.html, LAMMPS
|
||||||
as a cooperative project between DOE labs and industrial
|
originated as a cooperative project between DOE labs and industrial
|
||||||
partners. Folks involved in the design and testing of the original
|
partners. Folks involved in the design and testing of the original
|
||||||
version of LAMMPS were the following:
|
version of LAMMPS were the following:
|
||||||
|
|
||||||
|
|||||||
@ -544,7 +544,7 @@ known to your executable.
|
|||||||
</P>
|
</P>
|
||||||
<P>There are two kinds of packages in LAMMPS, standard and user packages.
|
<P>There are two kinds of packages in LAMMPS, standard and user packages.
|
||||||
More information about the contents of standard and user packages is
|
More information about the contents of standard and user packages is
|
||||||
given in <A HREF = "Section_packages.html">this section</A> of the manual. The
|
given in <A HREF = "Section_packages.html">Section_packages</A> of the manual. The
|
||||||
difference between standard and user packages is as follows:
|
difference between standard and user packages is as follows:
|
||||||
</P>
|
</P>
|
||||||
<P>Standard packages are supported by the LAMMPS developers and are
|
<P>Standard packages are supported by the LAMMPS developers and are
|
||||||
@ -638,7 +638,7 @@ libraries to be compiled first. If you get a LAMMPS build error about
|
|||||||
a missing library, this is likely the reason. The source code for
|
a missing library, this is likely the reason. The source code for
|
||||||
these libraries is included in the LAMMPS distribution under the "lib"
|
these libraries is included in the LAMMPS distribution under the "lib"
|
||||||
directory. Look at the lib/README file for a list of these or see
|
directory. Look at the lib/README file for a list of these or see
|
||||||
<A HREF = "Section_packages.html">this section</A> of the doc pages.
|
<A HREF = "Section_packages.html">Section_packages</A> of the doc pages.
|
||||||
</P>
|
</P>
|
||||||
<P>Each lib directory has a README file (e.g. lib/reax/README) with
|
<P>Each lib directory has a README file (e.g. lib/reax/README) with
|
||||||
instructions on how to build that library. Typically this is done
|
instructions on how to build that library. Typically this is done
|
||||||
@ -718,9 +718,9 @@ src/library.cpp and src/library.h.
|
|||||||
of C++ and C codes that invoke LAMMPS thru its library interface.
|
of C++ and C codes that invoke LAMMPS thru its library interface.
|
||||||
There are other examples as well in the couple directory which are
|
There are other examples as well in the couple directory which are
|
||||||
discussed in <A HREF = "Section_howto.html#howto_10">this section</A> of the manual.
|
discussed in <A HREF = "Section_howto.html#howto_10">this section</A> of the manual.
|
||||||
See <A HREF = "Section_python.html">this section</A> of the manual for a description
|
See <A HREF = "Section_python.html">Section_python</A> of the manual for a
|
||||||
of the Python wrapper provided with LAMMPS that operates through the
|
description of the Python wrapper provided with LAMMPS that operates
|
||||||
LAMMPS library interface.
|
through the LAMMPS library interface.
|
||||||
</P>
|
</P>
|
||||||
<P>The files src/library.cpp and library.h contain the C-style interface
|
<P>The files src/library.cpp and library.h contain the C-style interface
|
||||||
to LAMMPS. See <A HREF = "Section_howto.html#howto_19">this section</A> of the
|
to LAMMPS. See <A HREF = "Section_howto.html#howto_19">this section</A> of the
|
||||||
@ -823,7 +823,7 @@ than your working directory, which is probably not what you want.
|
|||||||
</P>
|
</P>
|
||||||
<P>If LAMMPS encounters errors in the input script or while running a
|
<P>If LAMMPS encounters errors in the input script or while running a
|
||||||
simulation it will print an ERROR message and stop or a WARNING
|
simulation it will print an ERROR message and stop or a WARNING
|
||||||
message and continue. See <A HREF = "Section_errors.html">this section</A> for a
|
message and continue. See <A HREF = "Section_errors.html">Section_errors</A> for a
|
||||||
discussion of the various kinds of errors LAMMPS can or can't detect,
|
discussion of the various kinds of errors LAMMPS can or can't detect,
|
||||||
a list of all ERROR and WARNING messages, and what to do about them.
|
a list of all ERROR and WARNING messages, and what to do about them.
|
||||||
</P>
|
</P>
|
||||||
@ -1209,7 +1209,7 @@ communication, roughly 75% in the example above.
|
|||||||
</H4>
|
</H4>
|
||||||
<P>The current C++ began with a complete rewrite of LAMMPS 2001, which
|
<P>The current C++ began with a complete rewrite of LAMMPS 2001, which
|
||||||
was written in F90. Features of earlier versions of LAMMPS are listed
|
was written in F90. Features of earlier versions of LAMMPS are listed
|
||||||
in <A HREF = "Section_history.html">this section</A>. The F90 and F77 versions
|
in <A HREF = "Section_history.html">Section_history</A>. The F90 and F77 versions
|
||||||
(2001 and 99) are also freely distributed as open-source codes; check
|
(2001 and 99) are also freely distributed as open-source codes; check
|
||||||
the <A HREF = "http://lammps.sandia.gov">LAMMPS WWW Site</A> for distribution information if you prefer
|
the <A HREF = "http://lammps.sandia.gov">LAMMPS WWW Site</A> for distribution information if you prefer
|
||||||
those versions. The 99 and 2001 versions are no longer under active
|
those versions. The 99 and 2001 versions are no longer under active
|
||||||
|
|||||||
@ -538,7 +538,7 @@ known to your executable.
|
|||||||
|
|
||||||
There are two kinds of packages in LAMMPS, standard and user packages.
|
There are two kinds of packages in LAMMPS, standard and user packages.
|
||||||
More information about the contents of standard and user packages is
|
More information about the contents of standard and user packages is
|
||||||
given in "this section"_Section_packages.html of the manual. The
|
given in "Section_packages"_Section_packages.html of the manual. The
|
||||||
difference between standard and user packages is as follows:
|
difference between standard and user packages is as follows:
|
||||||
|
|
||||||
Standard packages are supported by the LAMMPS developers and are
|
Standard packages are supported by the LAMMPS developers and are
|
||||||
@ -632,7 +632,7 @@ libraries to be compiled first. If you get a LAMMPS build error about
|
|||||||
a missing library, this is likely the reason. The source code for
|
a missing library, this is likely the reason. The source code for
|
||||||
these libraries is included in the LAMMPS distribution under the "lib"
|
these libraries is included in the LAMMPS distribution under the "lib"
|
||||||
directory. Look at the lib/README file for a list of these or see
|
directory. Look at the lib/README file for a list of these or see
|
||||||
"this section"_Section_packages.html of the doc pages.
|
"Section_packages"_Section_packages.html of the doc pages.
|
||||||
|
|
||||||
Each lib directory has a README file (e.g. lib/reax/README) with
|
Each lib directory has a README file (e.g. lib/reax/README) with
|
||||||
instructions on how to build that library. Typically this is done
|
instructions on how to build that library. Typically this is done
|
||||||
@ -712,9 +712,9 @@ See the sample codes couple/simple/simple.cpp and simple.c as examples
|
|||||||
of C++ and C codes that invoke LAMMPS thru its library interface.
|
of C++ and C codes that invoke LAMMPS thru its library interface.
|
||||||
There are other examples as well in the couple directory which are
|
There are other examples as well in the couple directory which are
|
||||||
discussed in "this section"_Section_howto.html#howto_10 of the manual.
|
discussed in "this section"_Section_howto.html#howto_10 of the manual.
|
||||||
See "this section"_Section_python.html of the manual for a description
|
See "Section_python"_Section_python.html of the manual for a
|
||||||
of the Python wrapper provided with LAMMPS that operates through the
|
description of the Python wrapper provided with LAMMPS that operates
|
||||||
LAMMPS library interface.
|
through the LAMMPS library interface.
|
||||||
|
|
||||||
The files src/library.cpp and library.h contain the C-style interface
|
The files src/library.cpp and library.h contain the C-style interface
|
||||||
to LAMMPS. See "this section"_Section_howto.html#howto_19 of the
|
to LAMMPS. See "this section"_Section_howto.html#howto_19 of the
|
||||||
@ -814,7 +814,7 @@ than your working directory, which is probably not what you want.
|
|||||||
|
|
||||||
If LAMMPS encounters errors in the input script or while running a
|
If LAMMPS encounters errors in the input script or while running a
|
||||||
simulation it will print an ERROR message and stop or a WARNING
|
simulation it will print an ERROR message and stop or a WARNING
|
||||||
message and continue. See "this section"_Section_errors.html for a
|
message and continue. See "Section_errors"_Section_errors.html for a
|
||||||
discussion of the various kinds of errors LAMMPS can or can't detect,
|
discussion of the various kinds of errors LAMMPS can or can't detect,
|
||||||
a list of all ERROR and WARNING messages, and what to do about them.
|
a list of all ERROR and WARNING messages, and what to do about them.
|
||||||
|
|
||||||
@ -1200,7 +1200,7 @@ communication, roughly 75% in the example above.
|
|||||||
|
|
||||||
The current C++ began with a complete rewrite of LAMMPS 2001, which
|
The current C++ began with a complete rewrite of LAMMPS 2001, which
|
||||||
was written in F90. Features of earlier versions of LAMMPS are listed
|
was written in F90. Features of earlier versions of LAMMPS are listed
|
||||||
in "this section"_Section_history.html. The F90 and F77 versions
|
in "Section_history"_Section_history.html. The F90 and F77 versions
|
||||||
(2001 and 99) are also freely distributed as open-source codes; check
|
(2001 and 99) are also freely distributed as open-source codes; check
|
||||||
the "LAMMPS WWW Site"_lws for distribution information if you prefer
|
the "LAMMPS WWW Site"_lws for distribution information if you prefer
|
||||||
those versions. The 99 and 2001 versions are no longer under active
|
those versions. The 99 and 2001 versions are no longer under active
|
||||||
|
|||||||
@ -52,10 +52,10 @@ internally; hence the units of K are in energy/radian^2.
|
|||||||
|
|
||||||
<P>Styles with a <I>cuda</I>, <I>gpu</I>, <I>omp</I>, or <I>opt</I> suffix are functionally
|
<P>Styles with a <I>cuda</I>, <I>gpu</I>, <I>omp</I>, or <I>opt</I> suffix are functionally
|
||||||
the same as the corresponding style without the suffix. They have
|
the same as the corresponding style without the suffix. They have
|
||||||
been optimized to run faster, depending on your available hardware,
|
been optimized to run faster, depending on your available hardware, as
|
||||||
as discussed in <A HREF = "Section_accelerate.html">this section</A> of the manual.
|
discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A> of the
|
||||||
The accelerated styles take the same arguments and should produce the
|
manual. The accelerated styles take the same arguments and should
|
||||||
same results, except for round-off and precision issues.
|
produce the same results, except for round-off and precision issues.
|
||||||
</P>
|
</P>
|
||||||
<P>These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
<P>These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
||||||
packages, respectively. They are only enabled if LAMMPS was built with
|
packages, respectively. They are only enabled if LAMMPS was built with
|
||||||
@ -67,8 +67,8 @@ by including their suffix, or you can use the <A HREF = "Section_start.html#star
|
|||||||
switch</A> when you invoke LAMMPS, or you can
|
switch</A> when you invoke LAMMPS, or you can
|
||||||
use the <A HREF = "suffix.html">suffix</A> command in your input script.
|
use the <A HREF = "suffix.html">suffix</A> command in your input script.
|
||||||
</P>
|
</P>
|
||||||
<P>See <A HREF = "Section_accelerate.html">this section</A> of the manual for more
|
<P>See <A HREF = "Section_accelerate.html">Section_accelerate</A> of the manual for
|
||||||
instructions on how to use the accelerated styles effectively.
|
more instructions on how to use the accelerated styles effectively.
|
||||||
</P>
|
</P>
|
||||||
<HR>
|
<HR>
|
||||||
|
|
||||||
|
|||||||
@ -48,10 +48,10 @@ internally; hence the units of K are in energy/radian^2.
|
|||||||
|
|
||||||
Styles with a {cuda}, {gpu}, {omp}, or {opt} suffix are functionally
|
Styles with a {cuda}, {gpu}, {omp}, or {opt} suffix are functionally
|
||||||
the same as the corresponding style without the suffix. They have
|
the same as the corresponding style without the suffix. They have
|
||||||
been optimized to run faster, depending on your available hardware,
|
been optimized to run faster, depending on your available hardware, as
|
||||||
as discussed in "this section"_Section_accelerate.html of the manual.
|
discussed in "Section_accelerate"_Section_accelerate.html of the
|
||||||
The accelerated styles take the same arguments and should produce the
|
manual. The accelerated styles take the same arguments and should
|
||||||
same results, except for round-off and precision issues.
|
produce the same results, except for round-off and precision issues.
|
||||||
|
|
||||||
These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
||||||
packages, respectively. They are only enabled if LAMMPS was built with
|
packages, respectively. They are only enabled if LAMMPS was built with
|
||||||
@ -63,8 +63,8 @@ by including their suffix, or you can use the "-suffix command-line
|
|||||||
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
|
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
|
||||||
use the "suffix"_suffix.html command in your input script.
|
use the "suffix"_suffix.html command in your input script.
|
||||||
|
|
||||||
See "this section"_Section_accelerate.html of the manual for more
|
See "Section_accelerate"_Section_accelerate.html of the manual for
|
||||||
instructions on how to use the accelerated styles effectively.
|
more instructions on how to use the accelerated styles effectively.
|
||||||
|
|
||||||
:line
|
:line
|
||||||
|
|
||||||
|
|||||||
@ -84,10 +84,10 @@ same value from the Ea formula.
|
|||||||
|
|
||||||
<P>Styles with a <I>cuda</I>, <I>gpu</I>, <I>omp</I>, or <I>opt</I> suffix are functionally
|
<P>Styles with a <I>cuda</I>, <I>gpu</I>, <I>omp</I>, or <I>opt</I> suffix are functionally
|
||||||
the same as the corresponding style without the suffix. They have
|
the same as the corresponding style without the suffix. They have
|
||||||
been optimized to run faster, depending on your available hardware,
|
been optimized to run faster, depending on your available hardware, as
|
||||||
as discussed in <A HREF = "Section_accelerate.html">this section</A> of the manual.
|
discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A> of the
|
||||||
The accelerated styles take the same arguments and should produce the
|
manual. The accelerated styles take the same arguments and should
|
||||||
same results, except for round-off and precision issues.
|
produce the same results, except for round-off and precision issues.
|
||||||
</P>
|
</P>
|
||||||
<P>These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
<P>These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
||||||
packages, respectively. They are only enabled if LAMMPS was built with
|
packages, respectively. They are only enabled if LAMMPS was built with
|
||||||
@ -99,8 +99,8 @@ by including their suffix, or you can use the <A HREF = "Section_start.html#star
|
|||||||
switch</A> when you invoke LAMMPS, or you can
|
switch</A> when you invoke LAMMPS, or you can
|
||||||
use the <A HREF = "suffix.html">suffix</A> command in your input script.
|
use the <A HREF = "suffix.html">suffix</A> command in your input script.
|
||||||
</P>
|
</P>
|
||||||
<P>See <A HREF = "Section_accelerate.html">this section</A> of the manual for more
|
<P>See <A HREF = "Section_accelerate.html">Section_accelerate</A> of the manual for
|
||||||
instructions on how to use the accelerated styles effectively.
|
more instructions on how to use the accelerated styles effectively.
|
||||||
</P>
|
</P>
|
||||||
<HR>
|
<HR>
|
||||||
|
|
||||||
|
|||||||
@ -80,10 +80,10 @@ same value from the Ea formula.
|
|||||||
|
|
||||||
Styles with a {cuda}, {gpu}, {omp}, or {opt} suffix are functionally
|
Styles with a {cuda}, {gpu}, {omp}, or {opt} suffix are functionally
|
||||||
the same as the corresponding style without the suffix. They have
|
the same as the corresponding style without the suffix. They have
|
||||||
been optimized to run faster, depending on your available hardware,
|
been optimized to run faster, depending on your available hardware, as
|
||||||
as discussed in "this section"_Section_accelerate.html of the manual.
|
discussed in "Section_accelerate"_Section_accelerate.html of the
|
||||||
The accelerated styles take the same arguments and should produce the
|
manual. The accelerated styles take the same arguments and should
|
||||||
same results, except for round-off and precision issues.
|
produce the same results, except for round-off and precision issues.
|
||||||
|
|
||||||
These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
||||||
packages, respectively. They are only enabled if LAMMPS was built with
|
packages, respectively. They are only enabled if LAMMPS was built with
|
||||||
@ -95,8 +95,8 @@ by including their suffix, or you can use the "-suffix command-line
|
|||||||
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
|
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
|
||||||
use the "suffix"_suffix.html command in your input script.
|
use the "suffix"_suffix.html command in your input script.
|
||||||
|
|
||||||
See "this section"_Section_accelerate.html of the manual for more
|
See "Section_accelerate"_Section_accelerate.html of the manual for
|
||||||
instructions on how to use the accelerated styles effectively.
|
more instructions on how to use the accelerated styles effectively.
|
||||||
|
|
||||||
:line
|
:line
|
||||||
|
|
||||||
|
|||||||
@ -41,10 +41,10 @@ or <A HREF = "read_restart.html">read_restart</A> commands:
|
|||||||
|
|
||||||
<P>Styles with a <I>cuda</I>, <I>gpu</I>, <I>omp</I>, or <I>opt</I> suffix are functionally
|
<P>Styles with a <I>cuda</I>, <I>gpu</I>, <I>omp</I>, or <I>opt</I> suffix are functionally
|
||||||
the same as the corresponding style without the suffix. They have
|
the same as the corresponding style without the suffix. They have
|
||||||
been optimized to run faster, depending on your available hardware,
|
been optimized to run faster, depending on your available hardware, as
|
||||||
as discussed in <A HREF = "Section_accelerate.html">this section</A> of the manual.
|
discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A> of the
|
||||||
The accelerated styles take the same arguments and should produce the
|
manual. The accelerated styles take the same arguments and should
|
||||||
same results, except for round-off and precision issues.
|
produce the same results, except for round-off and precision issues.
|
||||||
</P>
|
</P>
|
||||||
<P>These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
<P>These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
||||||
packages, respectively. They are only enabled if LAMMPS was built with
|
packages, respectively. They are only enabled if LAMMPS was built with
|
||||||
@ -56,8 +56,8 @@ by including their suffix, or you can use the <A HREF = "Section_start.html#star
|
|||||||
switch</A> when you invoke LAMMPS, or you can
|
switch</A> when you invoke LAMMPS, or you can
|
||||||
use the <A HREF = "suffix.html">suffix</A> command in your input script.
|
use the <A HREF = "suffix.html">suffix</A> command in your input script.
|
||||||
</P>
|
</P>
|
||||||
<P>See <A HREF = "Section_accelerate.html">this section</A> of the manual for more
|
<P>See <A HREF = "Section_accelerate.html">Section_accelerate</A> of the manual for
|
||||||
instructions on how to use the accelerated styles effectively.
|
more instructions on how to use the accelerated styles effectively.
|
||||||
</P>
|
</P>
|
||||||
<HR>
|
<HR>
|
||||||
|
|
||||||
|
|||||||
@ -37,10 +37,10 @@ K (energy) :ul
|
|||||||
|
|
||||||
Styles with a {cuda}, {gpu}, {omp}, or {opt} suffix are functionally
|
Styles with a {cuda}, {gpu}, {omp}, or {opt} suffix are functionally
|
||||||
the same as the corresponding style without the suffix. They have
|
the same as the corresponding style without the suffix. They have
|
||||||
been optimized to run faster, depending on your available hardware,
|
been optimized to run faster, depending on your available hardware, as
|
||||||
as discussed in "this section"_Section_accelerate.html of the manual.
|
discussed in "Section_accelerate"_Section_accelerate.html of the
|
||||||
The accelerated styles take the same arguments and should produce the
|
manual. The accelerated styles take the same arguments and should
|
||||||
same results, except for round-off and precision issues.
|
produce the same results, except for round-off and precision issues.
|
||||||
|
|
||||||
These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
||||||
packages, respectively. They are only enabled if LAMMPS was built with
|
packages, respectively. They are only enabled if LAMMPS was built with
|
||||||
@ -52,8 +52,8 @@ by including their suffix, or you can use the "-suffix command-line
|
|||||||
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
|
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
|
||||||
use the "suffix"_suffix.html command in your input script.
|
use the "suffix"_suffix.html command in your input script.
|
||||||
|
|
||||||
See "this section"_Section_accelerate.html of the manual for more
|
See "Section_accelerate"_Section_accelerate.html of the manual for
|
||||||
instructions on how to use the accelerated styles effectively.
|
more instructions on how to use the accelerated styles effectively.
|
||||||
|
|
||||||
:line
|
:line
|
||||||
|
|
||||||
|
|||||||
@ -46,10 +46,10 @@ internally.
|
|||||||
|
|
||||||
<P>Styles with a <I>cuda</I>, <I>gpu</I>, <I>omp</I>, or <I>opt</I> suffix are functionally
|
<P>Styles with a <I>cuda</I>, <I>gpu</I>, <I>omp</I>, or <I>opt</I> suffix are functionally
|
||||||
the same as the corresponding style without the suffix. They have
|
the same as the corresponding style without the suffix. They have
|
||||||
been optimized to run faster, depending on your available hardware,
|
been optimized to run faster, depending on your available hardware, as
|
||||||
as discussed in <A HREF = "Section_accelerate.html">this section</A> of the manual.
|
discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A> of the
|
||||||
The accelerated styles take the same arguments and should produce the
|
manual. The accelerated styles take the same arguments and should
|
||||||
same results, except for round-off and precision issues.
|
produce the same results, except for round-off and precision issues.
|
||||||
</P>
|
</P>
|
||||||
<P>These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
<P>These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
||||||
packages, respectively. They are only enabled if LAMMPS was built with
|
packages, respectively. They are only enabled if LAMMPS was built with
|
||||||
@ -61,8 +61,8 @@ by including their suffix, or you can use the <A HREF = "Section_start.html#star
|
|||||||
switch</A> when you invoke LAMMPS, or you can
|
switch</A> when you invoke LAMMPS, or you can
|
||||||
use the <A HREF = "suffix.html">suffix</A> command in your input script.
|
use the <A HREF = "suffix.html">suffix</A> command in your input script.
|
||||||
</P>
|
</P>
|
||||||
<P>See <A HREF = "Section_accelerate.html">this section</A> of the manual for more
|
<P>See <A HREF = "Section_accelerate.html">Section_accelerate</A> of the manual for
|
||||||
instructions on how to use the accelerated styles effectively.
|
more instructions on how to use the accelerated styles effectively.
|
||||||
</P>
|
</P>
|
||||||
<HR>
|
<HR>
|
||||||
|
|
||||||
|
|||||||
@ -42,10 +42,10 @@ internally.
|
|||||||
|
|
||||||
Styles with a {cuda}, {gpu}, {omp}, or {opt} suffix are functionally
|
Styles with a {cuda}, {gpu}, {omp}, or {opt} suffix are functionally
|
||||||
the same as the corresponding style without the suffix. They have
|
the same as the corresponding style without the suffix. They have
|
||||||
been optimized to run faster, depending on your available hardware,
|
been optimized to run faster, depending on your available hardware, as
|
||||||
as discussed in "this section"_Section_accelerate.html of the manual.
|
discussed in "Section_accelerate"_Section_accelerate.html of the
|
||||||
The accelerated styles take the same arguments and should produce the
|
manual. The accelerated styles take the same arguments and should
|
||||||
same results, except for round-off and precision issues.
|
produce the same results, except for round-off and precision issues.
|
||||||
|
|
||||||
These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
||||||
packages, respectively. They are only enabled if LAMMPS was built with
|
packages, respectively. They are only enabled if LAMMPS was built with
|
||||||
@ -57,8 +57,8 @@ by including their suffix, or you can use the "-suffix command-line
|
|||||||
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
|
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
|
||||||
use the "suffix"_suffix.html command in your input script.
|
use the "suffix"_suffix.html command in your input script.
|
||||||
|
|
||||||
See "this section"_Section_accelerate.html of the manual for more
|
See "Section_accelerate"_Section_accelerate.html of the manual for
|
||||||
instructions on how to use the accelerated styles effectively.
|
more instructions on how to use the accelerated styles effectively.
|
||||||
|
|
||||||
:line
|
:line
|
||||||
|
|
||||||
|
|||||||
@ -54,10 +54,10 @@ geometry.
|
|||||||
|
|
||||||
<P>Styles with a <I>cuda</I>, <I>gpu</I>, <I>omp</I>, or <I>opt</I> suffix are functionally
|
<P>Styles with a <I>cuda</I>, <I>gpu</I>, <I>omp</I>, or <I>opt</I> suffix are functionally
|
||||||
the same as the corresponding style without the suffix. They have
|
the same as the corresponding style without the suffix. They have
|
||||||
been optimized to run faster, depending on your available hardware,
|
been optimized to run faster, depending on your available hardware, as
|
||||||
as discussed in <A HREF = "Section_accelerate.html">this section</A> of the manual.
|
discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A> of the
|
||||||
The accelerated styles take the same arguments and should produce the
|
manual. The accelerated styles take the same arguments and should
|
||||||
same results, except for round-off and precision issues.
|
produce the same results, except for round-off and precision issues.
|
||||||
</P>
|
</P>
|
||||||
<P>These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
<P>These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
||||||
packages, respectively. They are only enabled if LAMMPS was built with
|
packages, respectively. They are only enabled if LAMMPS was built with
|
||||||
@ -69,8 +69,8 @@ by including their suffix, or you can use the <A HREF = "Section_start.html#star
|
|||||||
switch</A> when you invoke LAMMPS, or you can
|
switch</A> when you invoke LAMMPS, or you can
|
||||||
use the <A HREF = "suffix.html">suffix</A> command in your input script.
|
use the <A HREF = "suffix.html">suffix</A> command in your input script.
|
||||||
</P>
|
</P>
|
||||||
<P>See <A HREF = "Section_accelerate.html">this section</A> of the manual for more
|
<P>See <A HREF = "Section_accelerate.html">Section_accelerate</A> of the manual for
|
||||||
instructions on how to use the accelerated styles effectively.
|
more instructions on how to use the accelerated styles effectively.
|
||||||
</P>
|
</P>
|
||||||
<HR>
|
<HR>
|
||||||
|
|
||||||
|
|||||||
@ -50,10 +50,10 @@ geometry.
|
|||||||
|
|
||||||
Styles with a {cuda}, {gpu}, {omp}, or {opt} suffix are functionally
|
Styles with a {cuda}, {gpu}, {omp}, or {opt} suffix are functionally
|
||||||
the same as the corresponding style without the suffix. They have
|
the same as the corresponding style without the suffix. They have
|
||||||
been optimized to run faster, depending on your available hardware,
|
been optimized to run faster, depending on your available hardware, as
|
||||||
as discussed in "this section"_Section_accelerate.html of the manual.
|
discussed in "Section_accelerate"_Section_accelerate.html of the
|
||||||
The accelerated styles take the same arguments and should produce the
|
manual. The accelerated styles take the same arguments and should
|
||||||
same results, except for round-off and precision issues.
|
produce the same results, except for round-off and precision issues.
|
||||||
|
|
||||||
These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
||||||
packages, respectively. They are only enabled if LAMMPS was built with
|
packages, respectively. They are only enabled if LAMMPS was built with
|
||||||
@ -65,8 +65,8 @@ by including their suffix, or you can use the "-suffix command-line
|
|||||||
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
|
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
|
||||||
use the "suffix"_suffix.html command in your input script.
|
use the "suffix"_suffix.html command in your input script.
|
||||||
|
|
||||||
See "this section"_Section_accelerate.html of the manual for more
|
See "Section_accelerate"_Section_accelerate.html of the manual for
|
||||||
instructions on how to use the accelerated styles effectively.
|
more instructions on how to use the accelerated styles effectively.
|
||||||
|
|
||||||
:line
|
:line
|
||||||
|
|
||||||
|
|||||||
@ -44,10 +44,10 @@ or <A HREF = "read_restart.html">read_restart</A> commands:
|
|||||||
|
|
||||||
<P>Styles with a <I>cuda</I>, <I>gpu</I>, <I>omp</I>, or <I>opt</I> suffix are functionally
|
<P>Styles with a <I>cuda</I>, <I>gpu</I>, <I>omp</I>, or <I>opt</I> suffix are functionally
|
||||||
the same as the corresponding style without the suffix. They have
|
the same as the corresponding style without the suffix. They have
|
||||||
been optimized to run faster, depending on your available hardware,
|
been optimized to run faster, depending on your available hardware, as
|
||||||
as discussed in <A HREF = "Section_accelerate.html">this section</A> of the manual.
|
discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A> of the
|
||||||
The accelerated styles take the same arguments and should produce the
|
manual. The accelerated styles take the same arguments and should
|
||||||
same results, except for round-off and precision issues.
|
produce the same results, except for round-off and precision issues.
|
||||||
</P>
|
</P>
|
||||||
<P>These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
<P>These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
||||||
packages, respectively. They are only enabled if LAMMPS was built with
|
packages, respectively. They are only enabled if LAMMPS was built with
|
||||||
@ -59,8 +59,8 @@ by including their suffix, or you can use the <A HREF = "Section_start.html#star
|
|||||||
switch</A> when you invoke LAMMPS, or you can
|
switch</A> when you invoke LAMMPS, or you can
|
||||||
use the <A HREF = "suffix.html">suffix</A> command in your input script.
|
use the <A HREF = "suffix.html">suffix</A> command in your input script.
|
||||||
</P>
|
</P>
|
||||||
<P>See <A HREF = "Section_accelerate.html">this section</A> of the manual for more
|
<P>See <A HREF = "Section_accelerate.html">Section_accelerate</A> of the manual for
|
||||||
instructions on how to use the accelerated styles effectively.
|
more instructions on how to use the accelerated styles effectively.
|
||||||
</P>
|
</P>
|
||||||
<HR>
|
<HR>
|
||||||
|
|
||||||
|
|||||||
@ -40,10 +40,10 @@ theta (angle) :ul
|
|||||||
|
|
||||||
Styles with a {cuda}, {gpu}, {omp}, or {opt} suffix are functionally
|
Styles with a {cuda}, {gpu}, {omp}, or {opt} suffix are functionally
|
||||||
the same as the corresponding style without the suffix. They have
|
the same as the corresponding style without the suffix. They have
|
||||||
been optimized to run faster, depending on your available hardware,
|
been optimized to run faster, depending on your available hardware, as
|
||||||
as discussed in "this section"_Section_accelerate.html of the manual.
|
discussed in "Section_accelerate"_Section_accelerate.html of the
|
||||||
The accelerated styles take the same arguments and should produce the
|
manual. The accelerated styles take the same arguments and should
|
||||||
same results, except for round-off and precision issues.
|
produce the same results, except for round-off and precision issues.
|
||||||
|
|
||||||
These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
||||||
packages, respectively. They are only enabled if LAMMPS was built with
|
packages, respectively. They are only enabled if LAMMPS was built with
|
||||||
@ -55,8 +55,8 @@ by including their suffix, or you can use the "-suffix command-line
|
|||||||
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
|
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
|
||||||
use the "suffix"_suffix.html command in your input script.
|
use the "suffix"_suffix.html command in your input script.
|
||||||
|
|
||||||
See "this section"_Section_accelerate.html of the manual for more
|
See "Section_accelerate"_Section_accelerate.html of the manual for
|
||||||
instructions on how to use the accelerated styles effectively.
|
more instructions on how to use the accelerated styles effectively.
|
||||||
|
|
||||||
:line
|
:line
|
||||||
|
|
||||||
|
|||||||
@ -56,10 +56,10 @@ or <A HREF = "read_restart.html">read_restart</A> commands:
|
|||||||
|
|
||||||
<P>Styles with a <I>cuda</I>, <I>gpu</I>, <I>omp</I>, or <I>opt</I> suffix are functionally
|
<P>Styles with a <I>cuda</I>, <I>gpu</I>, <I>omp</I>, or <I>opt</I> suffix are functionally
|
||||||
the same as the corresponding style without the suffix. They have
|
the same as the corresponding style without the suffix. They have
|
||||||
been optimized to run faster, depending on your available hardware,
|
been optimized to run faster, depending on your available hardware, as
|
||||||
as discussed in <A HREF = "Section_accelerate.html">this section</A> of the manual.
|
discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A> of the
|
||||||
The accelerated styles take the same arguments and should produce the
|
manual. The accelerated styles take the same arguments and should
|
||||||
same results, except for round-off and precision issues.
|
produce the same results, except for round-off and precision issues.
|
||||||
</P>
|
</P>
|
||||||
<P>These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
<P>These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
||||||
packages, respectively. They are only enabled if LAMMPS was built with
|
packages, respectively. They are only enabled if LAMMPS was built with
|
||||||
@ -71,8 +71,8 @@ by including their suffix, or you can use the <A HREF = "Section_start.html#star
|
|||||||
switch</A> when you invoke LAMMPS, or you can
|
switch</A> when you invoke LAMMPS, or you can
|
||||||
use the <A HREF = "suffix.html">suffix</A> command in your input script.
|
use the <A HREF = "suffix.html">suffix</A> command in your input script.
|
||||||
</P>
|
</P>
|
||||||
<P>See <A HREF = "Section_accelerate.html">this section</A> of the manual for more
|
<P>See <A HREF = "Section_accelerate.html">Section_accelerate</A> of the manual for
|
||||||
instructions on how to use the accelerated styles effectively.
|
more instructions on how to use the accelerated styles effectively.
|
||||||
</P>
|
</P>
|
||||||
<HR>
|
<HR>
|
||||||
|
|
||||||
|
|||||||
@ -52,10 +52,10 @@ A (real number) :ul
|
|||||||
|
|
||||||
Styles with a {cuda}, {gpu}, {omp}, or {opt} suffix are functionally
|
Styles with a {cuda}, {gpu}, {omp}, or {opt} suffix are functionally
|
||||||
the same as the corresponding style without the suffix. They have
|
the same as the corresponding style without the suffix. They have
|
||||||
been optimized to run faster, depending on your available hardware,
|
been optimized to run faster, depending on your available hardware, as
|
||||||
as discussed in "this section"_Section_accelerate.html of the manual.
|
discussed in "Section_accelerate"_Section_accelerate.html of the
|
||||||
The accelerated styles take the same arguments and should produce the
|
manual. The accelerated styles take the same arguments and should
|
||||||
same results, except for round-off and precision issues.
|
produce the same results, except for round-off and precision issues.
|
||||||
|
|
||||||
These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
||||||
packages, respectively. They are only enabled if LAMMPS was built with
|
packages, respectively. They are only enabled if LAMMPS was built with
|
||||||
@ -67,8 +67,8 @@ by including their suffix, or you can use the "-suffix command-line
|
|||||||
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
|
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
|
||||||
use the "suffix"_suffix.html command in your input script.
|
use the "suffix"_suffix.html command in your input script.
|
||||||
|
|
||||||
See "this section"_Section_accelerate.html of the manual for more
|
See "Section_accelerate"_Section_accelerate.html of the manual for
|
||||||
instructions on how to use the accelerated styles effectively.
|
more instructions on how to use the accelerated styles effectively.
|
||||||
|
|
||||||
:line
|
:line
|
||||||
|
|
||||||
|
|||||||
@ -46,10 +46,10 @@ internally.
|
|||||||
|
|
||||||
<P>Styles with a <I>cuda</I>, <I>gpu</I>, <I>omp</I>, or <I>opt</I> suffix are functionally
|
<P>Styles with a <I>cuda</I>, <I>gpu</I>, <I>omp</I>, or <I>opt</I> suffix are functionally
|
||||||
the same as the corresponding style without the suffix. They have
|
the same as the corresponding style without the suffix. They have
|
||||||
been optimized to run faster, depending on your available hardware,
|
been optimized to run faster, depending on your available hardware, as
|
||||||
as discussed in <A HREF = "Section_accelerate.html">this section</A> of the manual.
|
discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A> of the
|
||||||
The accelerated styles take the same arguments and should produce the
|
manual. The accelerated styles take the same arguments and should
|
||||||
same results, except for round-off and precision issues.
|
produce the same results, except for round-off and precision issues.
|
||||||
</P>
|
</P>
|
||||||
<P>These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
<P>These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
||||||
packages, respectively. They are only enabled if LAMMPS was built with
|
packages, respectively. They are only enabled if LAMMPS was built with
|
||||||
@ -61,8 +61,8 @@ by including their suffix, or you can use the <A HREF = "Section_start.html#star
|
|||||||
switch</A> when you invoke LAMMPS, or you can
|
switch</A> when you invoke LAMMPS, or you can
|
||||||
use the <A HREF = "suffix.html">suffix</A> command in your input script.
|
use the <A HREF = "suffix.html">suffix</A> command in your input script.
|
||||||
</P>
|
</P>
|
||||||
<P>See <A HREF = "Section_accelerate.html">this section</A> of the manual for more
|
<P>See <A HREF = "Section_accelerate.html">Section_accelerate</A> of the manual for
|
||||||
instructions on how to use the accelerated styles effectively.
|
more instructions on how to use the accelerated styles effectively.
|
||||||
</P>
|
</P>
|
||||||
<HR>
|
<HR>
|
||||||
|
|
||||||
|
|||||||
@ -42,10 +42,10 @@ internally.
|
|||||||
|
|
||||||
Styles with a {cuda}, {gpu}, {omp}, or {opt} suffix are functionally
|
Styles with a {cuda}, {gpu}, {omp}, or {opt} suffix are functionally
|
||||||
the same as the corresponding style without the suffix. They have
|
the same as the corresponding style without the suffix. They have
|
||||||
been optimized to run faster, depending on your available hardware,
|
been optimized to run faster, depending on your available hardware, as
|
||||||
as discussed in "this section"_Section_accelerate.html of the manual.
|
discussed in "Section_accelerate"_Section_accelerate.html of the
|
||||||
The accelerated styles take the same arguments and should produce the
|
manual. The accelerated styles take the same arguments and should
|
||||||
same results, except for round-off and precision issues.
|
produce the same results, except for round-off and precision issues.
|
||||||
|
|
||||||
These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
||||||
packages, respectively. They are only enabled if LAMMPS was built with
|
packages, respectively. They are only enabled if LAMMPS was built with
|
||||||
@ -57,8 +57,8 @@ by including their suffix, or you can use the "-suffix command-line
|
|||||||
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
|
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
|
||||||
use the "suffix"_suffix.html command in your input script.
|
use the "suffix"_suffix.html command in your input script.
|
||||||
|
|
||||||
See "this section"_Section_accelerate.html of the manual for more
|
See "Section_accelerate"_Section_accelerate.html of the manual for
|
||||||
instructions on how to use the accelerated styles effectively.
|
more instructions on how to use the accelerated styles effectively.
|
||||||
|
|
||||||
:line
|
:line
|
||||||
|
|
||||||
|
|||||||
@ -46,10 +46,10 @@ internally; hence the units of K are in energy/radian^2.
|
|||||||
|
|
||||||
<P>Styles with a <I>cuda</I>, <I>gpu</I>, <I>omp</I>, or <I>opt</I> suffix are functionally
|
<P>Styles with a <I>cuda</I>, <I>gpu</I>, <I>omp</I>, or <I>opt</I> suffix are functionally
|
||||||
the same as the corresponding style without the suffix. They have
|
the same as the corresponding style without the suffix. They have
|
||||||
been optimized to run faster, depending on your available hardware,
|
been optimized to run faster, depending on your available hardware, as
|
||||||
as discussed in <A HREF = "Section_accelerate.html">this section</A> of the manual.
|
discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A> of the
|
||||||
The accelerated styles take the same arguments and should produce the
|
manual. The accelerated styles take the same arguments and should
|
||||||
same results, except for round-off and precision issues.
|
produce the same results, except for round-off and precision issues.
|
||||||
</P>
|
</P>
|
||||||
<P>These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
<P>These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
||||||
packages, respectively. They are only enabled if LAMMPS was built with
|
packages, respectively. They are only enabled if LAMMPS was built with
|
||||||
@ -61,8 +61,8 @@ by including their suffix, or you can use the <A HREF = "Section_start.html#star
|
|||||||
switch</A> when you invoke LAMMPS, or you can
|
switch</A> when you invoke LAMMPS, or you can
|
||||||
use the <A HREF = "suffix.html">suffix</A> command in your input script.
|
use the <A HREF = "suffix.html">suffix</A> command in your input script.
|
||||||
</P>
|
</P>
|
||||||
<P>See <A HREF = "Section_accelerate.html">this section</A> of the manual for more
|
<P>See <A HREF = "Section_accelerate.html">Section_accelerate</A> of the manual for
|
||||||
instructions on how to use the accelerated styles effectively.
|
more instructions on how to use the accelerated styles effectively.
|
||||||
</P>
|
</P>
|
||||||
<HR>
|
<HR>
|
||||||
|
|
||||||
|
|||||||
@ -42,10 +42,10 @@ internally; hence the units of K are in energy/radian^2.
|
|||||||
|
|
||||||
Styles with a {cuda}, {gpu}, {omp}, or {opt} suffix are functionally
|
Styles with a {cuda}, {gpu}, {omp}, or {opt} suffix are functionally
|
||||||
the same as the corresponding style without the suffix. They have
|
the same as the corresponding style without the suffix. They have
|
||||||
been optimized to run faster, depending on your available hardware,
|
been optimized to run faster, depending on your available hardware, as
|
||||||
as discussed in "this section"_Section_accelerate.html of the manual.
|
discussed in "Section_accelerate"_Section_accelerate.html of the
|
||||||
The accelerated styles take the same arguments and should produce the
|
manual. The accelerated styles take the same arguments and should
|
||||||
same results, except for round-off and precision issues.
|
produce the same results, except for round-off and precision issues.
|
||||||
|
|
||||||
These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
||||||
packages, respectively. They are only enabled if LAMMPS was built with
|
packages, respectively. They are only enabled if LAMMPS was built with
|
||||||
@ -57,8 +57,8 @@ by including their suffix, or you can use the "-suffix command-line
|
|||||||
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
|
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
|
||||||
use the "suffix"_suffix.html command in your input script.
|
use the "suffix"_suffix.html command in your input script.
|
||||||
|
|
||||||
See "this section"_Section_accelerate.html of the manual for more
|
See "Section_accelerate"_Section_accelerate.html of the manual for
|
||||||
instructions on how to use the accelerated styles effectively.
|
more instructions on how to use the accelerated styles effectively.
|
||||||
|
|
||||||
:line
|
:line
|
||||||
|
|
||||||
|
|||||||
@ -127,10 +127,10 @@ one that matches the specified keyword.
|
|||||||
|
|
||||||
<P>Styles with a <I>cuda</I>, <I>gpu</I>, <I>omp</I>, or <I>opt</I> suffix are functionally
|
<P>Styles with a <I>cuda</I>, <I>gpu</I>, <I>omp</I>, or <I>opt</I> suffix are functionally
|
||||||
the same as the corresponding style without the suffix. They have
|
the same as the corresponding style without the suffix. They have
|
||||||
been optimized to run faster, depending on your available hardware,
|
been optimized to run faster, depending on your available hardware, as
|
||||||
as discussed in <A HREF = "Section_accelerate.html">this section</A> of the manual.
|
discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A> of the
|
||||||
The accelerated styles take the same arguments and should produce the
|
manual. The accelerated styles take the same arguments and should
|
||||||
same results, except for round-off and precision issues.
|
produce the same results, except for round-off and precision issues.
|
||||||
</P>
|
</P>
|
||||||
<P>These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
<P>These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
||||||
packages, respectively. They are only enabled if LAMMPS was built with
|
packages, respectively. They are only enabled if LAMMPS was built with
|
||||||
@ -142,8 +142,8 @@ by including their suffix, or you can use the <A HREF = "Section_start.html#star
|
|||||||
switch</A> when you invoke LAMMPS, or you can
|
switch</A> when you invoke LAMMPS, or you can
|
||||||
use the <A HREF = "suffix.html">suffix</A> command in your input script.
|
use the <A HREF = "suffix.html">suffix</A> command in your input script.
|
||||||
</P>
|
</P>
|
||||||
<P>See <A HREF = "Section_accelerate.html">this section</A> of the manual for more
|
<P>See <A HREF = "Section_accelerate.html">Section_accelerate</A> of the manual for
|
||||||
instructions on how to use the accelerated styles effectively.
|
more instructions on how to use the accelerated styles effectively.
|
||||||
</P>
|
</P>
|
||||||
<HR>
|
<HR>
|
||||||
|
|
||||||
|
|||||||
@ -123,10 +123,10 @@ one that matches the specified keyword.
|
|||||||
|
|
||||||
Styles with a {cuda}, {gpu}, {omp}, or {opt} suffix are functionally
|
Styles with a {cuda}, {gpu}, {omp}, or {opt} suffix are functionally
|
||||||
the same as the corresponding style without the suffix. They have
|
the same as the corresponding style without the suffix. They have
|
||||||
been optimized to run faster, depending on your available hardware,
|
been optimized to run faster, depending on your available hardware, as
|
||||||
as discussed in "this section"_Section_accelerate.html of the manual.
|
discussed in "Section_accelerate"_Section_accelerate.html of the
|
||||||
The accelerated styles take the same arguments and should produce the
|
manual. The accelerated styles take the same arguments and should
|
||||||
same results, except for round-off and precision issues.
|
produce the same results, except for round-off and precision issues.
|
||||||
|
|
||||||
These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
||||||
packages, respectively. They are only enabled if LAMMPS was built with
|
packages, respectively. They are only enabled if LAMMPS was built with
|
||||||
@ -138,8 +138,8 @@ by including their suffix, or you can use the "-suffix command-line
|
|||||||
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
|
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
|
||||||
use the "suffix"_suffix.html command in your input script.
|
use the "suffix"_suffix.html command in your input script.
|
||||||
|
|
||||||
See "this section"_Section_accelerate.html of the manual for more
|
See "Section_accelerate"_Section_accelerate.html of the manual for
|
||||||
instructions on how to use the accelerated styles effectively.
|
more instructions on how to use the accelerated styles effectively.
|
||||||
|
|
||||||
:line
|
:line
|
||||||
|
|
||||||
|
|||||||
@ -46,10 +46,10 @@ or <A HREF = "read_restart.html">read_restart</A> commands:
|
|||||||
|
|
||||||
<P>Styles with a <I>cuda</I>, <I>gpu</I>, <I>omp</I>, or <I>opt</I> suffix are functionally
|
<P>Styles with a <I>cuda</I>, <I>gpu</I>, <I>omp</I>, or <I>opt</I> suffix are functionally
|
||||||
the same as the corresponding style without the suffix. They have
|
the same as the corresponding style without the suffix. They have
|
||||||
been optimized to run faster, depending on your available hardware,
|
been optimized to run faster, depending on your available hardware, as
|
||||||
as discussed in <A HREF = "Section_accelerate.html">this section</A> of the manual.
|
discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A> of the
|
||||||
The accelerated styles take the same arguments and should produce the
|
manual. The accelerated styles take the same arguments and should
|
||||||
same results, except for round-off and precision issues.
|
produce the same results, except for round-off and precision issues.
|
||||||
</P>
|
</P>
|
||||||
<P>These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
<P>These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
||||||
packages, respectively. They are only enabled if LAMMPS was built with
|
packages, respectively. They are only enabled if LAMMPS was built with
|
||||||
@ -61,8 +61,8 @@ by including their suffix, or you can use the <A HREF = "Section_start.html#star
|
|||||||
switch</A> when you invoke LAMMPS, or you can
|
switch</A> when you invoke LAMMPS, or you can
|
||||||
use the <A HREF = "suffix.html">suffix</A> command in your input script.
|
use the <A HREF = "suffix.html">suffix</A> command in your input script.
|
||||||
</P>
|
</P>
|
||||||
<P>See <A HREF = "Section_accelerate.html">this section</A> of the manual for more
|
<P>See <A HREF = "Section_accelerate.html">Section_accelerate</A> of the manual for
|
||||||
instructions on how to use the accelerated styles effectively.
|
more instructions on how to use the accelerated styles effectively.
|
||||||
</P>
|
</P>
|
||||||
<HR>
|
<HR>
|
||||||
|
|
||||||
|
|||||||
@ -42,10 +42,10 @@ K4 (energy/distance^4) :ul
|
|||||||
|
|
||||||
Styles with a {cuda}, {gpu}, {omp}, or {opt} suffix are functionally
|
Styles with a {cuda}, {gpu}, {omp}, or {opt} suffix are functionally
|
||||||
the same as the corresponding style without the suffix. They have
|
the same as the corresponding style without the suffix. They have
|
||||||
been optimized to run faster, depending on your available hardware,
|
been optimized to run faster, depending on your available hardware, as
|
||||||
as discussed in "this section"_Section_accelerate.html of the manual.
|
discussed in "Section_accelerate"_Section_accelerate.html of the
|
||||||
The accelerated styles take the same arguments and should produce the
|
manual. The accelerated styles take the same arguments and should
|
||||||
same results, except for round-off and precision issues.
|
produce the same results, except for round-off and precision issues.
|
||||||
|
|
||||||
These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
||||||
packages, respectively. They are only enabled if LAMMPS was built with
|
packages, respectively. They are only enabled if LAMMPS was built with
|
||||||
@ -57,8 +57,8 @@ by including their suffix, or you can use the "-suffix command-line
|
|||||||
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
|
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
|
||||||
use the "suffix"_suffix.html command in your input script.
|
use the "suffix"_suffix.html command in your input script.
|
||||||
|
|
||||||
See "this section"_Section_accelerate.html of the manual for more
|
See "Section_accelerate"_Section_accelerate.html of the manual for
|
||||||
instructions on how to use the accelerated styles effectively.
|
more instructions on how to use the accelerated styles effectively.
|
||||||
|
|
||||||
:line
|
:line
|
||||||
|
|
||||||
|
|||||||
@ -48,10 +48,10 @@ or <A HREF = "read_restart.html">read_restart</A> commands:
|
|||||||
|
|
||||||
<P>Styles with a <I>cuda</I>, <I>gpu</I>, <I>omp</I>, or <I>opt</I> suffix are functionally
|
<P>Styles with a <I>cuda</I>, <I>gpu</I>, <I>omp</I>, or <I>opt</I> suffix are functionally
|
||||||
the same as the corresponding style without the suffix. They have
|
the same as the corresponding style without the suffix. They have
|
||||||
been optimized to run faster, depending on your available hardware,
|
been optimized to run faster, depending on your available hardware, as
|
||||||
as discussed in <A HREF = "Section_accelerate.html">this section</A> of the manual.
|
discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A> of the
|
||||||
The accelerated styles take the same arguments and should produce the
|
manual. The accelerated styles take the same arguments and should
|
||||||
same results, except for round-off and precision issues.
|
produce the same results, except for round-off and precision issues.
|
||||||
</P>
|
</P>
|
||||||
<P>These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
<P>These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
||||||
packages, respectively. They are only enabled if LAMMPS was built with
|
packages, respectively. They are only enabled if LAMMPS was built with
|
||||||
@ -63,8 +63,8 @@ by including their suffix, or you can use the <A HREF = "Section_start.html#star
|
|||||||
switch</A> when you invoke LAMMPS, or you can
|
switch</A> when you invoke LAMMPS, or you can
|
||||||
use the <A HREF = "suffix.html">suffix</A> command in your input script.
|
use the <A HREF = "suffix.html">suffix</A> command in your input script.
|
||||||
</P>
|
</P>
|
||||||
<P>See <A HREF = "Section_accelerate.html">this section</A> of the manual for more
|
<P>See <A HREF = "Section_accelerate.html">Section_accelerate</A> of the manual for
|
||||||
instructions on how to use the accelerated styles effectively.
|
more instructions on how to use the accelerated styles effectively.
|
||||||
</P>
|
</P>
|
||||||
<HR>
|
<HR>
|
||||||
|
|
||||||
|
|||||||
@ -44,10 +44,10 @@ sigma (distance) :ul
|
|||||||
|
|
||||||
Styles with a {cuda}, {gpu}, {omp}, or {opt} suffix are functionally
|
Styles with a {cuda}, {gpu}, {omp}, or {opt} suffix are functionally
|
||||||
the same as the corresponding style without the suffix. They have
|
the same as the corresponding style without the suffix. They have
|
||||||
been optimized to run faster, depending on your available hardware,
|
been optimized to run faster, depending on your available hardware, as
|
||||||
as discussed in "this section"_Section_accelerate.html of the manual.
|
discussed in "Section_accelerate"_Section_accelerate.html of the
|
||||||
The accelerated styles take the same arguments and should produce the
|
manual. The accelerated styles take the same arguments and should
|
||||||
same results, except for round-off and precision issues.
|
produce the same results, except for round-off and precision issues.
|
||||||
|
|
||||||
These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
||||||
packages, respectively. They are only enabled if LAMMPS was built with
|
packages, respectively. They are only enabled if LAMMPS was built with
|
||||||
@ -59,8 +59,8 @@ by including their suffix, or you can use the "-suffix command-line
|
|||||||
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
|
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
|
||||||
use the "suffix"_suffix.html command in your input script.
|
use the "suffix"_suffix.html command in your input script.
|
||||||
|
|
||||||
See "this section"_Section_accelerate.html of the manual for more
|
See "Section_accelerate"_Section_accelerate.html of the manual for
|
||||||
instructions on how to use the accelerated styles effectively.
|
more instructions on how to use the accelerated styles effectively.
|
||||||
|
|
||||||
:line
|
:line
|
||||||
|
|
||||||
|
|||||||
@ -53,10 +53,10 @@ or <A HREF = "read_restart.html">read_restart</A> commands:
|
|||||||
|
|
||||||
<P>Styles with a <I>cuda</I>, <I>gpu</I>, <I>omp</I>, or <I>opt</I> suffix are functionally
|
<P>Styles with a <I>cuda</I>, <I>gpu</I>, <I>omp</I>, or <I>opt</I> suffix are functionally
|
||||||
the same as the corresponding style without the suffix. They have
|
the same as the corresponding style without the suffix. They have
|
||||||
been optimized to run faster, depending on your available hardware,
|
been optimized to run faster, depending on your available hardware, as
|
||||||
as discussed in <A HREF = "Section_accelerate.html">this section</A> of the manual.
|
discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A> of the
|
||||||
The accelerated styles take the same arguments and should produce the
|
manual. The accelerated styles take the same arguments and should
|
||||||
same results, except for round-off and precision issues.
|
produce the same results, except for round-off and precision issues.
|
||||||
</P>
|
</P>
|
||||||
<P>These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
<P>These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
||||||
packages, respectively. They are only enabled if LAMMPS was built with
|
packages, respectively. They are only enabled if LAMMPS was built with
|
||||||
@ -68,8 +68,8 @@ by including their suffix, or you can use the <A HREF = "Section_start.html#star
|
|||||||
switch</A> when you invoke LAMMPS, or you can
|
switch</A> when you invoke LAMMPS, or you can
|
||||||
use the <A HREF = "suffix.html">suffix</A> command in your input script.
|
use the <A HREF = "suffix.html">suffix</A> command in your input script.
|
||||||
</P>
|
</P>
|
||||||
<P>See <A HREF = "Section_accelerate.html">this section</A> of the manual for more
|
<P>See <A HREF = "Section_accelerate.html">Section_accelerate</A> of the manual for
|
||||||
instructions on how to use the accelerated styles effectively.
|
more instructions on how to use the accelerated styles effectively.
|
||||||
</P>
|
</P>
|
||||||
<HR>
|
<HR>
|
||||||
|
|
||||||
|
|||||||
@ -49,10 +49,10 @@ delta (distance) :ul
|
|||||||
|
|
||||||
Styles with a {cuda}, {gpu}, {omp}, or {opt} suffix are functionally
|
Styles with a {cuda}, {gpu}, {omp}, or {opt} suffix are functionally
|
||||||
the same as the corresponding style without the suffix. They have
|
the same as the corresponding style without the suffix. They have
|
||||||
been optimized to run faster, depending on your available hardware,
|
been optimized to run faster, depending on your available hardware, as
|
||||||
as discussed in "this section"_Section_accelerate.html of the manual.
|
discussed in "Section_accelerate"_Section_accelerate.html of the
|
||||||
The accelerated styles take the same arguments and should produce the
|
manual. The accelerated styles take the same arguments and should
|
||||||
same results, except for round-off and precision issues.
|
produce the same results, except for round-off and precision issues.
|
||||||
|
|
||||||
These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
||||||
packages, respectively. They are only enabled if LAMMPS was built with
|
packages, respectively. They are only enabled if LAMMPS was built with
|
||||||
@ -64,8 +64,8 @@ by including their suffix, or you can use the "-suffix command-line
|
|||||||
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
|
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
|
||||||
use the "suffix"_suffix.html command in your input script.
|
use the "suffix"_suffix.html command in your input script.
|
||||||
|
|
||||||
See "this section"_Section_accelerate.html of the manual for more
|
See "Section_accelerate"_Section_accelerate.html of the manual for
|
||||||
instructions on how to use the accelerated styles effectively.
|
more instructions on how to use the accelerated styles effectively.
|
||||||
|
|
||||||
:line
|
:line
|
||||||
|
|
||||||
|
|||||||
@ -43,10 +43,10 @@ or <A HREF = "read_restart.html">read_restart</A> commands:
|
|||||||
|
|
||||||
<P>Styles with a <I>cuda</I>, <I>gpu</I>, <I>omp</I>, or <I>opt</I> suffix are functionally
|
<P>Styles with a <I>cuda</I>, <I>gpu</I>, <I>omp</I>, or <I>opt</I> suffix are functionally
|
||||||
the same as the corresponding style without the suffix. They have
|
the same as the corresponding style without the suffix. They have
|
||||||
been optimized to run faster, depending on your available hardware,
|
been optimized to run faster, depending on your available hardware, as
|
||||||
as discussed in <A HREF = "Section_accelerate.html">this section</A> of the manual.
|
discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A> of the
|
||||||
The accelerated styles take the same arguments and should produce the
|
manual. The accelerated styles take the same arguments and should
|
||||||
same results, except for round-off and precision issues.
|
produce the same results, except for round-off and precision issues.
|
||||||
</P>
|
</P>
|
||||||
<P>These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
<P>These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
||||||
packages, respectively. They are only enabled if LAMMPS was built with
|
packages, respectively. They are only enabled if LAMMPS was built with
|
||||||
@ -58,8 +58,8 @@ by including their suffix, or you can use the <A HREF = "Section_start.html#star
|
|||||||
switch</A> when you invoke LAMMPS, or you can
|
switch</A> when you invoke LAMMPS, or you can
|
||||||
use the <A HREF = "suffix.html">suffix</A> command in your input script.
|
use the <A HREF = "suffix.html">suffix</A> command in your input script.
|
||||||
</P>
|
</P>
|
||||||
<P>See <A HREF = "Section_accelerate.html">this section</A> of the manual for more
|
<P>See <A HREF = "Section_accelerate.html">Section_accelerate</A> of the manual for
|
||||||
instructions on how to use the accelerated styles effectively.
|
more instructions on how to use the accelerated styles effectively.
|
||||||
</P>
|
</P>
|
||||||
<HR>
|
<HR>
|
||||||
|
|
||||||
|
|||||||
@ -39,10 +39,10 @@ r0 (distance) :ul
|
|||||||
|
|
||||||
Styles with a {cuda}, {gpu}, {omp}, or {opt} suffix are functionally
|
Styles with a {cuda}, {gpu}, {omp}, or {opt} suffix are functionally
|
||||||
the same as the corresponding style without the suffix. They have
|
the same as the corresponding style without the suffix. They have
|
||||||
been optimized to run faster, depending on your available hardware,
|
been optimized to run faster, depending on your available hardware, as
|
||||||
as discussed in "this section"_Section_accelerate.html of the manual.
|
discussed in "Section_accelerate"_Section_accelerate.html of the
|
||||||
The accelerated styles take the same arguments and should produce the
|
manual. The accelerated styles take the same arguments and should
|
||||||
same results, except for round-off and precision issues.
|
produce the same results, except for round-off and precision issues.
|
||||||
|
|
||||||
These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
||||||
packages, respectively. They are only enabled if LAMMPS was built with
|
packages, respectively. They are only enabled if LAMMPS was built with
|
||||||
@ -54,8 +54,8 @@ by including their suffix, or you can use the "-suffix command-line
|
|||||||
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
|
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
|
||||||
use the "suffix"_suffix.html command in your input script.
|
use the "suffix"_suffix.html command in your input script.
|
||||||
|
|
||||||
See "this section"_Section_accelerate.html of the manual for more
|
See "Section_accelerate"_Section_accelerate.html of the manual for
|
||||||
instructions on how to use the accelerated styles effectively.
|
more instructions on how to use the accelerated styles effectively.
|
||||||
|
|
||||||
:line
|
:line
|
||||||
|
|
||||||
|
|||||||
@ -48,10 +48,10 @@ or <A HREF = "read_restart.html">read_restart</A> commands:
|
|||||||
|
|
||||||
<P>Styles with a <I>cuda</I>, <I>gpu</I>, <I>omp</I>, or <I>opt</I> suffix are functionally
|
<P>Styles with a <I>cuda</I>, <I>gpu</I>, <I>omp</I>, or <I>opt</I> suffix are functionally
|
||||||
the same as the corresponding style without the suffix. They have
|
the same as the corresponding style without the suffix. They have
|
||||||
been optimized to run faster, depending on your available hardware,
|
been optimized to run faster, depending on your available hardware, as
|
||||||
as discussed in <A HREF = "Section_accelerate.html">this section</A> of the manual.
|
discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A> of the
|
||||||
The accelerated styles take the same arguments and should produce the
|
manual. The accelerated styles take the same arguments and should
|
||||||
same results, except for round-off and precision issues.
|
produce the same results, except for round-off and precision issues.
|
||||||
</P>
|
</P>
|
||||||
<P>These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
<P>These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
||||||
packages, respectively. They are only enabled if LAMMPS was built with
|
packages, respectively. They are only enabled if LAMMPS was built with
|
||||||
@ -63,8 +63,8 @@ by including their suffix, or you can use the <A HREF = "Section_start.html#star
|
|||||||
switch</A> when you invoke LAMMPS, or you can
|
switch</A> when you invoke LAMMPS, or you can
|
||||||
use the <A HREF = "suffix.html">suffix</A> command in your input script.
|
use the <A HREF = "suffix.html">suffix</A> command in your input script.
|
||||||
</P>
|
</P>
|
||||||
<P>See <A HREF = "Section_accelerate.html">this section</A> of the manual for more
|
<P>See <A HREF = "Section_accelerate.html">Section_accelerate</A> of the manual for
|
||||||
instructions on how to use the accelerated styles effectively.
|
more instructions on how to use the accelerated styles effectively.
|
||||||
</P>
|
</P>
|
||||||
<HR>
|
<HR>
|
||||||
|
|
||||||
|
|||||||
@ -42,10 +42,10 @@ rc (distance) :ul
|
|||||||
|
|
||||||
Styles with a {cuda}, {gpu}, {omp}, or {opt} suffix are functionally
|
Styles with a {cuda}, {gpu}, {omp}, or {opt} suffix are functionally
|
||||||
the same as the corresponding style without the suffix. They have
|
the same as the corresponding style without the suffix. They have
|
||||||
been optimized to run faster, depending on your available hardware,
|
been optimized to run faster, depending on your available hardware, as
|
||||||
as discussed in "this section"_Section_accelerate.html of the manual.
|
discussed in "Section_accelerate"_Section_accelerate.html of the
|
||||||
The accelerated styles take the same arguments and should produce the
|
manual. The accelerated styles take the same arguments and should
|
||||||
same results, except for round-off and precision issues.
|
produce the same results, except for round-off and precision issues.
|
||||||
|
|
||||||
These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
||||||
packages, respectively. They are only enabled if LAMMPS was built with
|
packages, respectively. They are only enabled if LAMMPS was built with
|
||||||
@ -57,8 +57,8 @@ by including their suffix, or you can use the "-suffix command-line
|
|||||||
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
|
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
|
||||||
use the "suffix"_suffix.html command in your input script.
|
use the "suffix"_suffix.html command in your input script.
|
||||||
|
|
||||||
See "this section"_Section_accelerate.html of the manual for more
|
See "Section_accelerate"_Section_accelerate.html of the manual for
|
||||||
instructions on how to use the accelerated styles effectively.
|
more instructions on how to use the accelerated styles effectively.
|
||||||
|
|
||||||
:line
|
:line
|
||||||
|
|
||||||
|
|||||||
@ -46,10 +46,10 @@ or <A HREF = "read_restart.html">read_restart</A> commands:
|
|||||||
|
|
||||||
<P>Styles with a <I>cuda</I>, <I>gpu</I>, <I>omp</I>, or <I>opt</I> suffix are functionally
|
<P>Styles with a <I>cuda</I>, <I>gpu</I>, <I>omp</I>, or <I>opt</I> suffix are functionally
|
||||||
the same as the corresponding style without the suffix. They have
|
the same as the corresponding style without the suffix. They have
|
||||||
been optimized to run faster, depending on your available hardware,
|
been optimized to run faster, depending on your available hardware, as
|
||||||
as discussed in <A HREF = "Section_accelerate.html">this section</A> of the manual.
|
discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A> of the
|
||||||
The accelerated styles take the same arguments and should produce the
|
manual. The accelerated styles take the same arguments and should
|
||||||
same results, except for round-off and precision issues.
|
produce the same results, except for round-off and precision issues.
|
||||||
</P>
|
</P>
|
||||||
<P>These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
<P>These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
||||||
packages, respectively. They are only enabled if LAMMPS was built with
|
packages, respectively. They are only enabled if LAMMPS was built with
|
||||||
@ -61,8 +61,8 @@ by including their suffix, or you can use the <A HREF = "Section_start.html#star
|
|||||||
switch</A> when you invoke LAMMPS, or you can
|
switch</A> when you invoke LAMMPS, or you can
|
||||||
use the <A HREF = "suffix.html">suffix</A> command in your input script.
|
use the <A HREF = "suffix.html">suffix</A> command in your input script.
|
||||||
</P>
|
</P>
|
||||||
<P>See <A HREF = "Section_accelerate.html">this section</A> of the manual for more
|
<P>See <A HREF = "Section_accelerate.html">Section_accelerate</A> of the manual for
|
||||||
instructions on how to use the accelerated styles effectively.
|
more instructions on how to use the accelerated styles effectively.
|
||||||
</P>
|
</P>
|
||||||
<HR>
|
<HR>
|
||||||
|
|
||||||
|
|||||||
@ -42,10 +42,10 @@ rc (distance) :ul
|
|||||||
|
|
||||||
Styles with a {cuda}, {gpu}, {omp}, or {opt} suffix are functionally
|
Styles with a {cuda}, {gpu}, {omp}, or {opt} suffix are functionally
|
||||||
the same as the corresponding style without the suffix. They have
|
the same as the corresponding style without the suffix. They have
|
||||||
been optimized to run faster, depending on your available hardware,
|
been optimized to run faster, depending on your available hardware, as
|
||||||
as discussed in "this section"_Section_accelerate.html of the manual.
|
discussed in "Section_accelerate"_Section_accelerate.html of the
|
||||||
The accelerated styles take the same arguments and should produce the
|
manual. The accelerated styles take the same arguments and should
|
||||||
same results, except for round-off and precision issues.
|
produce the same results, except for round-off and precision issues.
|
||||||
|
|
||||||
These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
||||||
packages, respectively. They are only enabled if LAMMPS was built with
|
packages, respectively. They are only enabled if LAMMPS was built with
|
||||||
@ -57,8 +57,8 @@ by including their suffix, or you can use the "-suffix command-line
|
|||||||
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
|
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
|
||||||
use the "suffix"_suffix.html command in your input script.
|
use the "suffix"_suffix.html command in your input script.
|
||||||
|
|
||||||
See "this section"_Section_accelerate.html of the manual for more
|
See "Section_accelerate"_Section_accelerate.html of the manual for
|
||||||
instructions on how to use the accelerated styles effectively.
|
more instructions on how to use the accelerated styles effectively.
|
||||||
|
|
||||||
:line
|
:line
|
||||||
|
|
||||||
|
|||||||
@ -44,10 +44,10 @@ or <A HREF = "read_restart.html">read_restart</A> commands:
|
|||||||
|
|
||||||
<P>Styles with a <I>cuda</I>, <I>gpu</I>, <I>omp</I>, or <I>opt</I> suffix are functionally
|
<P>Styles with a <I>cuda</I>, <I>gpu</I>, <I>omp</I>, or <I>opt</I> suffix are functionally
|
||||||
the same as the corresponding style without the suffix. They have
|
the same as the corresponding style without the suffix. They have
|
||||||
been optimized to run faster, depending on your available hardware,
|
been optimized to run faster, depending on your available hardware, as
|
||||||
as discussed in <A HREF = "Section_accelerate.html">this section</A> of the manual.
|
discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A> of the
|
||||||
The accelerated styles take the same arguments and should produce the
|
manual. The accelerated styles take the same arguments and should
|
||||||
same results, except for round-off and precision issues.
|
produce the same results, except for round-off and precision issues.
|
||||||
</P>
|
</P>
|
||||||
<P>These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
<P>These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
||||||
packages, respectively. They are only enabled if LAMMPS was built with
|
packages, respectively. They are only enabled if LAMMPS was built with
|
||||||
@ -59,8 +59,8 @@ by including their suffix, or you can use the <A HREF = "Section_start.html#star
|
|||||||
switch</A> when you invoke LAMMPS, or you can
|
switch</A> when you invoke LAMMPS, or you can
|
||||||
use the <A HREF = "suffix.html">suffix</A> command in your input script.
|
use the <A HREF = "suffix.html">suffix</A> command in your input script.
|
||||||
</P>
|
</P>
|
||||||
<P>See <A HREF = "Section_accelerate.html">this section</A> of the manual for more
|
<P>See <A HREF = "Section_accelerate.html">Section_accelerate</A> of the manual for
|
||||||
instructions on how to use the accelerated styles effectively.
|
more instructions on how to use the accelerated styles effectively.
|
||||||
</P>
|
</P>
|
||||||
<HR>
|
<HR>
|
||||||
|
|
||||||
|
|||||||
@ -40,10 +40,10 @@ r0 (distance) :ul
|
|||||||
|
|
||||||
Styles with a {cuda}, {gpu}, {omp}, or {opt} suffix are functionally
|
Styles with a {cuda}, {gpu}, {omp}, or {opt} suffix are functionally
|
||||||
the same as the corresponding style without the suffix. They have
|
the same as the corresponding style without the suffix. They have
|
||||||
been optimized to run faster, depending on your available hardware,
|
been optimized to run faster, depending on your available hardware, as
|
||||||
as discussed in "this section"_Section_accelerate.html of the manual.
|
discussed in "Section_accelerate"_Section_accelerate.html of the
|
||||||
The accelerated styles take the same arguments and should produce the
|
manual. The accelerated styles take the same arguments and should
|
||||||
same results, except for round-off and precision issues.
|
produce the same results, except for round-off and precision issues.
|
||||||
|
|
||||||
These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
||||||
packages, respectively. They are only enabled if LAMMPS was built with
|
packages, respectively. They are only enabled if LAMMPS was built with
|
||||||
@ -55,8 +55,8 @@ by including their suffix, or you can use the "-suffix command-line
|
|||||||
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
|
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
|
||||||
use the "suffix"_suffix.html command in your input script.
|
use the "suffix"_suffix.html command in your input script.
|
||||||
|
|
||||||
See "this section"_Section_accelerate.html of the manual for more
|
See "Section_accelerate"_Section_accelerate.html of the manual for
|
||||||
instructions on how to use the accelerated styles effectively.
|
more instructions on how to use the accelerated styles effectively.
|
||||||
|
|
||||||
:line
|
:line
|
||||||
|
|
||||||
|
|||||||
@ -44,10 +44,10 @@ or <A HREF = "read_restart.html">read_restart</A> commands:
|
|||||||
|
|
||||||
<P>Styles with a <I>cuda</I>, <I>gpu</I>, <I>omp</I>, or <I>opt</I> suffix are functionally
|
<P>Styles with a <I>cuda</I>, <I>gpu</I>, <I>omp</I>, or <I>opt</I> suffix are functionally
|
||||||
the same as the corresponding style without the suffix. They have
|
the same as the corresponding style without the suffix. They have
|
||||||
been optimized to run faster, depending on your available hardware,
|
been optimized to run faster, depending on your available hardware, as
|
||||||
as discussed in <A HREF = "Section_accelerate.html">this section</A> of the manual.
|
discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A> of the
|
||||||
The accelerated styles take the same arguments and should produce the
|
manual. The accelerated styles take the same arguments and should
|
||||||
same results, except for round-off and precision issues.
|
produce the same results, except for round-off and precision issues.
|
||||||
</P>
|
</P>
|
||||||
<P>These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
<P>These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
||||||
packages, respectively. They are only enabled if LAMMPS was built with
|
packages, respectively. They are only enabled if LAMMPS was built with
|
||||||
@ -59,8 +59,8 @@ by including their suffix, or you can use the <A HREF = "Section_start.html#star
|
|||||||
switch</A> when you invoke LAMMPS, or you can
|
switch</A> when you invoke LAMMPS, or you can
|
||||||
use the <A HREF = "suffix.html">suffix</A> command in your input script.
|
use the <A HREF = "suffix.html">suffix</A> command in your input script.
|
||||||
</P>
|
</P>
|
||||||
<P>See <A HREF = "Section_accelerate.html">this section</A> of the manual for more
|
<P>See <A HREF = "Section_accelerate.html">Section_accelerate</A> of the manual for
|
||||||
instructions on how to use the accelerated styles effectively.
|
more instructions on how to use the accelerated styles effectively.
|
||||||
</P>
|
</P>
|
||||||
<HR>
|
<HR>
|
||||||
|
|
||||||
|
|||||||
@ -40,10 +40,10 @@ lamda (distance) :ul
|
|||||||
|
|
||||||
Styles with a {cuda}, {gpu}, {omp}, or {opt} suffix are functionally
|
Styles with a {cuda}, {gpu}, {omp}, or {opt} suffix are functionally
|
||||||
the same as the corresponding style without the suffix. They have
|
the same as the corresponding style without the suffix. They have
|
||||||
been optimized to run faster, depending on your available hardware,
|
been optimized to run faster, depending on your available hardware, as
|
||||||
as discussed in "this section"_Section_accelerate.html of the manual.
|
discussed in "Section_accelerate"_Section_accelerate.html of the
|
||||||
The accelerated styles take the same arguments and should produce the
|
manual. The accelerated styles take the same arguments and should
|
||||||
same results, except for round-off and precision issues.
|
produce the same results, except for round-off and precision issues.
|
||||||
|
|
||||||
These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
||||||
packages, respectively. They are only enabled if LAMMPS was built with
|
packages, respectively. They are only enabled if LAMMPS was built with
|
||||||
@ -55,8 +55,8 @@ by including their suffix, or you can use the "-suffix command-line
|
|||||||
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
|
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
|
||||||
use the "suffix"_suffix.html command in your input script.
|
use the "suffix"_suffix.html command in your input script.
|
||||||
|
|
||||||
See "this section"_Section_accelerate.html of the manual for more
|
See "Section_accelerate"_Section_accelerate.html of the manual for
|
||||||
instructions on how to use the accelerated styles effectively.
|
more instructions on how to use the accelerated styles effectively.
|
||||||
|
|
||||||
:line
|
:line
|
||||||
|
|
||||||
|
|||||||
@ -79,10 +79,10 @@ delete_bonds all bond 0 remove
|
|||||||
|
|
||||||
<P>Styles with a <I>cuda</I>, <I>gpu</I>, <I>omp</I>, or <I>opt</I> suffix are functionally
|
<P>Styles with a <I>cuda</I>, <I>gpu</I>, <I>omp</I>, or <I>opt</I> suffix are functionally
|
||||||
the same as the corresponding style without the suffix. They have
|
the same as the corresponding style without the suffix. They have
|
||||||
been optimized to run faster, depending on your available hardware,
|
been optimized to run faster, depending on your available hardware, as
|
||||||
as discussed in <A HREF = "Section_accelerate.html">this section</A> of the manual.
|
discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A> of the
|
||||||
The accelerated styles take the same arguments and should produce the
|
manual. The accelerated styles take the same arguments and should
|
||||||
same results, except for round-off and precision issues.
|
produce the same results, except for round-off and precision issues.
|
||||||
</P>
|
</P>
|
||||||
<P>These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
<P>These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
||||||
packages, respectively. They are only enabled if LAMMPS was built with
|
packages, respectively. They are only enabled if LAMMPS was built with
|
||||||
@ -94,8 +94,8 @@ by including their suffix, or you can use the <A HREF = "Section_start.html#star
|
|||||||
switch</A> when you invoke LAMMPS, or you can
|
switch</A> when you invoke LAMMPS, or you can
|
||||||
use the <A HREF = "suffix.html">suffix</A> command in your input script.
|
use the <A HREF = "suffix.html">suffix</A> command in your input script.
|
||||||
</P>
|
</P>
|
||||||
<P>See <A HREF = "Section_accelerate.html">this section</A> of the manual for more
|
<P>See <A HREF = "Section_accelerate.html">Section_accelerate</A> of the manual for
|
||||||
instructions on how to use the accelerated styles effectively.
|
more instructions on how to use the accelerated styles effectively.
|
||||||
</P>
|
</P>
|
||||||
<HR>
|
<HR>
|
||||||
|
|
||||||
|
|||||||
@ -75,10 +75,10 @@ delete_bonds all bond 0 remove :pre
|
|||||||
|
|
||||||
Styles with a {cuda}, {gpu}, {omp}, or {opt} suffix are functionally
|
Styles with a {cuda}, {gpu}, {omp}, or {opt} suffix are functionally
|
||||||
the same as the corresponding style without the suffix. They have
|
the same as the corresponding style without the suffix. They have
|
||||||
been optimized to run faster, depending on your available hardware,
|
been optimized to run faster, depending on your available hardware, as
|
||||||
as discussed in "this section"_Section_accelerate.html of the manual.
|
discussed in "Section_accelerate"_Section_accelerate.html of the
|
||||||
The accelerated styles take the same arguments and should produce the
|
manual. The accelerated styles take the same arguments and should
|
||||||
same results, except for round-off and precision issues.
|
produce the same results, except for round-off and precision issues.
|
||||||
|
|
||||||
These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
||||||
packages, respectively. They are only enabled if LAMMPS was built with
|
packages, respectively. They are only enabled if LAMMPS was built with
|
||||||
@ -90,8 +90,8 @@ by including their suffix, or you can use the "-suffix command-line
|
|||||||
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
|
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
|
||||||
use the "suffix"_suffix.html command in your input script.
|
use the "suffix"_suffix.html command in your input script.
|
||||||
|
|
||||||
See "this section"_Section_accelerate.html of the manual for more
|
See "Section_accelerate"_Section_accelerate.html of the manual for
|
||||||
instructions on how to use the accelerated styles effectively.
|
more instructions on how to use the accelerated styles effectively.
|
||||||
|
|
||||||
:line
|
:line
|
||||||
|
|
||||||
|
|||||||
@ -124,10 +124,10 @@ one that matches the specified keyword.
|
|||||||
|
|
||||||
<P>Styles with a <I>cuda</I>, <I>gpu</I>, <I>omp</I>, or <I>opt</I> suffix are functionally
|
<P>Styles with a <I>cuda</I>, <I>gpu</I>, <I>omp</I>, or <I>opt</I> suffix are functionally
|
||||||
the same as the corresponding style without the suffix. They have
|
the same as the corresponding style without the suffix. They have
|
||||||
been optimized to run faster, depending on your available hardware,
|
been optimized to run faster, depending on your available hardware, as
|
||||||
as discussed in <A HREF = "Section_accelerate.html">this section</A> of the manual.
|
discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A> of the
|
||||||
The accelerated styles take the same arguments and should produce the
|
manual. The accelerated styles take the same arguments and should
|
||||||
same results, except for round-off and precision issues.
|
produce the same results, except for round-off and precision issues.
|
||||||
</P>
|
</P>
|
||||||
<P>These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
<P>These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
||||||
packages, respectively. They are only enabled if LAMMPS was built with
|
packages, respectively. They are only enabled if LAMMPS was built with
|
||||||
@ -139,8 +139,8 @@ by including their suffix, or you can use the <A HREF = "Section_start.html#star
|
|||||||
switch</A> when you invoke LAMMPS, or you can
|
switch</A> when you invoke LAMMPS, or you can
|
||||||
use the <A HREF = "suffix.html">suffix</A> command in your input script.
|
use the <A HREF = "suffix.html">suffix</A> command in your input script.
|
||||||
</P>
|
</P>
|
||||||
<P>See <A HREF = "Section_accelerate.html">this section</A> of the manual for more
|
<P>See <A HREF = "Section_accelerate.html">Section_accelerate</A> of the manual for
|
||||||
instructions on how to use the accelerated styles effectively.
|
more instructions on how to use the accelerated styles effectively.
|
||||||
</P>
|
</P>
|
||||||
<HR>
|
<HR>
|
||||||
|
|
||||||
|
|||||||
@ -120,10 +120,10 @@ one that matches the specified keyword.
|
|||||||
|
|
||||||
Styles with a {cuda}, {gpu}, {omp}, or {opt} suffix are functionally
|
Styles with a {cuda}, {gpu}, {omp}, or {opt} suffix are functionally
|
||||||
the same as the corresponding style without the suffix. They have
|
the same as the corresponding style without the suffix. They have
|
||||||
been optimized to run faster, depending on your available hardware,
|
been optimized to run faster, depending on your available hardware, as
|
||||||
as discussed in "this section"_Section_accelerate.html of the manual.
|
discussed in "Section_accelerate"_Section_accelerate.html of the
|
||||||
The accelerated styles take the same arguments and should produce the
|
manual. The accelerated styles take the same arguments and should
|
||||||
same results, except for round-off and precision issues.
|
produce the same results, except for round-off and precision issues.
|
||||||
|
|
||||||
These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
||||||
packages, respectively. They are only enabled if LAMMPS was built with
|
packages, respectively. They are only enabled if LAMMPS was built with
|
||||||
@ -135,8 +135,8 @@ by including their suffix, or you can use the "-suffix command-line
|
|||||||
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
|
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
|
||||||
use the "suffix"_suffix.html command in your input script.
|
use the "suffix"_suffix.html command in your input script.
|
||||||
|
|
||||||
See "this section"_Section_accelerate.html of the manual for more
|
See "Section_accelerate"_Section_accelerate.html of the manual for
|
||||||
instructions on how to use the accelerated styles effectively.
|
more instructions on how to use the accelerated styles effectively.
|
||||||
|
|
||||||
:line
|
:line
|
||||||
|
|
||||||
|
|||||||
@ -61,9 +61,9 @@ LAMMPS starts up, as if this command were in the input script:
|
|||||||
<P>Styles with a <I>cuda</I> suffix are functionally the same as the
|
<P>Styles with a <I>cuda</I> suffix are functionally the same as the
|
||||||
corresponding style without the suffix. They have been optimized to
|
corresponding style without the suffix. They have been optimized to
|
||||||
run faster, depending on your available hardware, as discussed in
|
run faster, depending on your available hardware, as discussed in
|
||||||
<A HREF = "Section_accelerate.html">this section</A> of the manual. The accelerated
|
<A HREF = "Section_accelerate.html">Section_accelerate</A> of the manual. The
|
||||||
styles take the same arguments and should produce the same results,
|
accelerated styles take the same arguments and should produce the same
|
||||||
except for round-off and precision issues.
|
results, except for round-off and precision issues.
|
||||||
</P>
|
</P>
|
||||||
<P>These accelerated styles are part of the USER-CUDA package. They are
|
<P>These accelerated styles are part of the USER-CUDA package. They are
|
||||||
only enabled if LAMMPS was built with that package. See the <A HREF = "Section_start.html#start_3">Making
|
only enabled if LAMMPS was built with that package. See the <A HREF = "Section_start.html#start_3">Making
|
||||||
@ -74,8 +74,8 @@ by including their suffix, or you can use the <A HREF = "Section_start.html#star
|
|||||||
switch</A> when you invoke LAMMPS, or you can
|
switch</A> when you invoke LAMMPS, or you can
|
||||||
use the <A HREF = "suffix.html">suffix</A> command in your input script.
|
use the <A HREF = "suffix.html">suffix</A> command in your input script.
|
||||||
</P>
|
</P>
|
||||||
<P>See <A HREF = "Section_accelerate.html">this section</A> of the manual for more
|
<P>See <A HREF = "Section_accelerate.html">Section_accelerate</A> of the manual for
|
||||||
instructions on how to use the accelerated styles effectively.
|
more instructions on how to use the accelerated styles effectively.
|
||||||
</P>
|
</P>
|
||||||
<HR>
|
<HR>
|
||||||
|
|
||||||
|
|||||||
@ -57,9 +57,9 @@ See the "thermo_style" command for more details.
|
|||||||
Styles with a {cuda} suffix are functionally the same as the
|
Styles with a {cuda} suffix are functionally the same as the
|
||||||
corresponding style without the suffix. They have been optimized to
|
corresponding style without the suffix. They have been optimized to
|
||||||
run faster, depending on your available hardware, as discussed in
|
run faster, depending on your available hardware, as discussed in
|
||||||
"this section"_Section_accelerate.html of the manual. The accelerated
|
"Section_accelerate"_Section_accelerate.html of the manual. The
|
||||||
styles take the same arguments and should produce the same results,
|
accelerated styles take the same arguments and should produce the same
|
||||||
except for round-off and precision issues.
|
results, except for round-off and precision issues.
|
||||||
|
|
||||||
These accelerated styles are part of the USER-CUDA package. They are
|
These accelerated styles are part of the USER-CUDA package. They are
|
||||||
only enabled if LAMMPS was built with that package. See the "Making
|
only enabled if LAMMPS was built with that package. See the "Making
|
||||||
@ -70,8 +70,8 @@ by including their suffix, or you can use the "-suffix command-line
|
|||||||
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
|
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
|
||||||
use the "suffix"_suffix.html command in your input script.
|
use the "suffix"_suffix.html command in your input script.
|
||||||
|
|
||||||
See "this section"_Section_accelerate.html of the manual for more
|
See "Section_accelerate"_Section_accelerate.html of the manual for
|
||||||
instructions on how to use the accelerated styles effectively.
|
more instructions on how to use the accelerated styles effectively.
|
||||||
|
|
||||||
:line
|
:line
|
||||||
|
|
||||||
|
|||||||
@ -91,9 +91,9 @@ LAMMPS starts up, as if this command were in the input script:
|
|||||||
<P>Styles with a <I>cuda</I> suffix are functionally the same as the
|
<P>Styles with a <I>cuda</I> suffix are functionally the same as the
|
||||||
corresponding style without the suffix. They have been optimized to
|
corresponding style without the suffix. They have been optimized to
|
||||||
run faster, depending on your available hardware, as discussed in
|
run faster, depending on your available hardware, as discussed in
|
||||||
<A HREF = "Section_accelerate.html">this section</A> of the manual. The accelerated
|
<A HREF = "Section_accelerate.html">Section_accelerate</A> of the manual. The
|
||||||
styles take the same arguments and should produce the same results,
|
accelerated styles take the same arguments and should produce the same
|
||||||
except for round-off and precision issues.
|
results, except for round-off and precision issues.
|
||||||
</P>
|
</P>
|
||||||
<P>These accelerated styles are part of the USER-CUDA package. They are
|
<P>These accelerated styles are part of the USER-CUDA package. They are
|
||||||
only enabled if LAMMPS was built with that package. See the <A HREF = "Section_start.html#start_3">Making
|
only enabled if LAMMPS was built with that package. See the <A HREF = "Section_start.html#start_3">Making
|
||||||
@ -104,8 +104,8 @@ by including their suffix, or you can use the <A HREF = "Section_start.html#star
|
|||||||
switch</A> when you invoke LAMMPS, or you can
|
switch</A> when you invoke LAMMPS, or you can
|
||||||
use the <A HREF = "suffix.html">suffix</A> command in your input script.
|
use the <A HREF = "suffix.html">suffix</A> command in your input script.
|
||||||
</P>
|
</P>
|
||||||
<P>See <A HREF = "Section_accelerate.html">this section</A> of the manual for more
|
<P>See <A HREF = "Section_accelerate.html">Section_accelerate</A> of the manual for
|
||||||
instructions on how to use the accelerated styles effectively.
|
more instructions on how to use the accelerated styles effectively.
|
||||||
</P>
|
</P>
|
||||||
<HR>
|
<HR>
|
||||||
|
|
||||||
|
|||||||
@ -87,9 +87,9 @@ where "thermo_temp" is the ID of a similarly defined compute of style
|
|||||||
Styles with a {cuda} suffix are functionally the same as the
|
Styles with a {cuda} suffix are functionally the same as the
|
||||||
corresponding style without the suffix. They have been optimized to
|
corresponding style without the suffix. They have been optimized to
|
||||||
run faster, depending on your available hardware, as discussed in
|
run faster, depending on your available hardware, as discussed in
|
||||||
"this section"_Section_accelerate.html of the manual. The accelerated
|
"Section_accelerate"_Section_accelerate.html of the manual. The
|
||||||
styles take the same arguments and should produce the same results,
|
accelerated styles take the same arguments and should produce the same
|
||||||
except for round-off and precision issues.
|
results, except for round-off and precision issues.
|
||||||
|
|
||||||
These accelerated styles are part of the USER-CUDA package. They are
|
These accelerated styles are part of the USER-CUDA package. They are
|
||||||
only enabled if LAMMPS was built with that package. See the "Making
|
only enabled if LAMMPS was built with that package. See the "Making
|
||||||
@ -100,8 +100,8 @@ by including their suffix, or you can use the "-suffix command-line
|
|||||||
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
|
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
|
||||||
use the "suffix"_suffix.html command in your input script.
|
use the "suffix"_suffix.html command in your input script.
|
||||||
|
|
||||||
See "this section"_Section_accelerate.html of the manual for more
|
See "Section_accelerate"_Section_accelerate.html of the manual for
|
||||||
instructions on how to use the accelerated styles effectively.
|
more instructions on how to use the accelerated styles effectively.
|
||||||
|
|
||||||
:line
|
:line
|
||||||
|
|
||||||
|
|||||||
@ -71,9 +71,9 @@ thermostatting.
|
|||||||
<P>Styles with a <I>cuda</I> suffix are functionally the same as the
|
<P>Styles with a <I>cuda</I> suffix are functionally the same as the
|
||||||
corresponding style without the suffix. They have been optimized to
|
corresponding style without the suffix. They have been optimized to
|
||||||
run faster, depending on your available hardware, as discussed in
|
run faster, depending on your available hardware, as discussed in
|
||||||
<A HREF = "Section_accelerate.html">this section</A> of the manual. The accelerated
|
<A HREF = "Section_accelerate.html">Section_accelerate</A> of the manual. The
|
||||||
styles take the same arguments and should produce the same results,
|
accelerated styles take the same arguments and should produce the same
|
||||||
except for round-off and precision issues.
|
results, except for round-off and precision issues.
|
||||||
</P>
|
</P>
|
||||||
<P>These accelerated styles are part of the USER-CUDA package. They are
|
<P>These accelerated styles are part of the USER-CUDA package. They are
|
||||||
only enabled if LAMMPS was built with that package. See the <A HREF = "Section_start.html#start_3">Making
|
only enabled if LAMMPS was built with that package. See the <A HREF = "Section_start.html#start_3">Making
|
||||||
@ -84,8 +84,8 @@ by including their suffix, or you can use the <A HREF = "Section_start.html#star
|
|||||||
switch</A> when you invoke LAMMPS, or you can
|
switch</A> when you invoke LAMMPS, or you can
|
||||||
use the <A HREF = "suffix.html">suffix</A> command in your input script.
|
use the <A HREF = "suffix.html">suffix</A> command in your input script.
|
||||||
</P>
|
</P>
|
||||||
<P>See <A HREF = "Section_accelerate.html">this section</A> of the manual for more
|
<P>See <A HREF = "Section_accelerate.html">Section_accelerate</A> of the manual for
|
||||||
instructions on how to use the accelerated styles effectively.
|
more instructions on how to use the accelerated styles effectively.
|
||||||
</P>
|
</P>
|
||||||
<HR>
|
<HR>
|
||||||
|
|
||||||
|
|||||||
@ -67,9 +67,9 @@ thermostatting.
|
|||||||
Styles with a {cuda} suffix are functionally the same as the
|
Styles with a {cuda} suffix are functionally the same as the
|
||||||
corresponding style without the suffix. They have been optimized to
|
corresponding style without the suffix. They have been optimized to
|
||||||
run faster, depending on your available hardware, as discussed in
|
run faster, depending on your available hardware, as discussed in
|
||||||
"this section"_Section_accelerate.html of the manual. The accelerated
|
"Section_accelerate"_Section_accelerate.html of the manual. The
|
||||||
styles take the same arguments and should produce the same results,
|
accelerated styles take the same arguments and should produce the same
|
||||||
except for round-off and precision issues.
|
results, except for round-off and precision issues.
|
||||||
|
|
||||||
These accelerated styles are part of the USER-CUDA package. They are
|
These accelerated styles are part of the USER-CUDA package. They are
|
||||||
only enabled if LAMMPS was built with that package. See the "Making
|
only enabled if LAMMPS was built with that package. See the "Making
|
||||||
@ -80,8 +80,8 @@ by including their suffix, or you can use the "-suffix command-line
|
|||||||
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
|
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
|
||||||
use the "suffix"_suffix.html command in your input script.
|
use the "suffix"_suffix.html command in your input script.
|
||||||
|
|
||||||
See "this section"_Section_accelerate.html of the manual for more
|
See "Section_accelerate"_Section_accelerate.html of the manual for
|
||||||
instructions on how to use the accelerated styles effectively.
|
more instructions on how to use the accelerated styles effectively.
|
||||||
|
|
||||||
:line
|
:line
|
||||||
|
|
||||||
|
|||||||
@ -79,9 +79,9 @@ thermostatting.
|
|||||||
<P>Styles with a <I>cuda</I> suffix are functionally the same as the
|
<P>Styles with a <I>cuda</I> suffix are functionally the same as the
|
||||||
corresponding style without the suffix. They have been optimized to
|
corresponding style without the suffix. They have been optimized to
|
||||||
run faster, depending on your available hardware, as discussed in
|
run faster, depending on your available hardware, as discussed in
|
||||||
<A HREF = "Section_accelerate.html">this section</A> of the manual. The accelerated
|
<A HREF = "Section_accelerate.html">Section_accelerate</A> of the manual. The
|
||||||
styles take the same arguments and should produce the same results,
|
accelerated styles take the same arguments and should produce the same
|
||||||
except for round-off and precision issues.
|
results, except for round-off and precision issues.
|
||||||
</P>
|
</P>
|
||||||
<P>These accelerated styles are part of the USER-CUDA package. They are
|
<P>These accelerated styles are part of the USER-CUDA package. They are
|
||||||
only enabled if LAMMPS was built with that package. See the <A HREF = "Section_start.html#start_3">Making
|
only enabled if LAMMPS was built with that package. See the <A HREF = "Section_start.html#start_3">Making
|
||||||
@ -92,8 +92,8 @@ by including their suffix, or you can use the <A HREF = "Section_start.html#star
|
|||||||
switch</A> when you invoke LAMMPS, or you can
|
switch</A> when you invoke LAMMPS, or you can
|
||||||
use the <A HREF = "suffix.html">suffix</A> command in your input script.
|
use the <A HREF = "suffix.html">suffix</A> command in your input script.
|
||||||
</P>
|
</P>
|
||||||
<P>See <A HREF = "Section_accelerate.html">this section</A> of the manual for more
|
<P>See <A HREF = "Section_accelerate.html">Section_accelerate</A> of the manual for
|
||||||
instructions on how to use the accelerated styles effectively.
|
more instructions on how to use the accelerated styles effectively.
|
||||||
</P>
|
</P>
|
||||||
<HR>
|
<HR>
|
||||||
|
|
||||||
|
|||||||
@ -75,9 +75,9 @@ thermostatting.
|
|||||||
Styles with a {cuda} suffix are functionally the same as the
|
Styles with a {cuda} suffix are functionally the same as the
|
||||||
corresponding style without the suffix. They have been optimized to
|
corresponding style without the suffix. They have been optimized to
|
||||||
run faster, depending on your available hardware, as discussed in
|
run faster, depending on your available hardware, as discussed in
|
||||||
"this section"_Section_accelerate.html of the manual. The accelerated
|
"Section_accelerate"_Section_accelerate.html of the manual. The
|
||||||
styles take the same arguments and should produce the same results,
|
accelerated styles take the same arguments and should produce the same
|
||||||
except for round-off and precision issues.
|
results, except for round-off and precision issues.
|
||||||
|
|
||||||
These accelerated styles are part of the USER-CUDA package. They are
|
These accelerated styles are part of the USER-CUDA package. They are
|
||||||
only enabled if LAMMPS was built with that package. See the "Making
|
only enabled if LAMMPS was built with that package. See the "Making
|
||||||
@ -88,8 +88,8 @@ by including their suffix, or you can use the "-suffix command-line
|
|||||||
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
|
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
|
||||||
use the "suffix"_suffix.html command in your input script.
|
use the "suffix"_suffix.html command in your input script.
|
||||||
|
|
||||||
See "this section"_Section_accelerate.html of the manual for more
|
See "Section_accelerate"_Section_accelerate.html of the manual for
|
||||||
instructions on how to use the accelerated styles effectively.
|
more instructions on how to use the accelerated styles effectively.
|
||||||
|
|
||||||
:line
|
:line
|
||||||
|
|
||||||
|
|||||||
@ -73,10 +73,10 @@ need any 1-4 information.
|
|||||||
|
|
||||||
<P>Styles with a <I>cuda</I>, <I>gpu</I>, <I>omp</I>, or <I>opt</I> suffix are functionally
|
<P>Styles with a <I>cuda</I>, <I>gpu</I>, <I>omp</I>, or <I>opt</I> suffix are functionally
|
||||||
the same as the corresponding style without the suffix. They have
|
the same as the corresponding style without the suffix. They have
|
||||||
been optimized to run faster, depending on your available hardware,
|
been optimized to run faster, depending on your available hardware, as
|
||||||
as discussed in <A HREF = "Section_accelerate.html">this section</A> of the manual.
|
discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A> of the
|
||||||
The accelerated styles take the same arguments and should produce the
|
manual. The accelerated styles take the same arguments and should
|
||||||
same results, except for round-off and precision issues.
|
produce the same results, except for round-off and precision issues.
|
||||||
</P>
|
</P>
|
||||||
<P>These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
<P>These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
||||||
packages, respectively. They are only enabled if LAMMPS was built with
|
packages, respectively. They are only enabled if LAMMPS was built with
|
||||||
@ -88,8 +88,8 @@ by including their suffix, or you can use the <A HREF = "Section_start.html#star
|
|||||||
switch</A> when you invoke LAMMPS, or you can
|
switch</A> when you invoke LAMMPS, or you can
|
||||||
use the <A HREF = "suffix.html">suffix</A> command in your input script.
|
use the <A HREF = "suffix.html">suffix</A> command in your input script.
|
||||||
</P>
|
</P>
|
||||||
<P>See <A HREF = "Section_accelerate.html">this section</A> of the manual for more
|
<P>See <A HREF = "Section_accelerate.html">Section_accelerate</A> of the manual for
|
||||||
instructions on how to use the accelerated styles effectively.
|
more instructions on how to use the accelerated styles effectively.
|
||||||
</P>
|
</P>
|
||||||
<HR>
|
<HR>
|
||||||
|
|
||||||
|
|||||||
@ -69,10 +69,10 @@ need any 1-4 information.
|
|||||||
|
|
||||||
Styles with a {cuda}, {gpu}, {omp}, or {opt} suffix are functionally
|
Styles with a {cuda}, {gpu}, {omp}, or {opt} suffix are functionally
|
||||||
the same as the corresponding style without the suffix. They have
|
the same as the corresponding style without the suffix. They have
|
||||||
been optimized to run faster, depending on your available hardware,
|
been optimized to run faster, depending on your available hardware, as
|
||||||
as discussed in "this section"_Section_accelerate.html of the manual.
|
discussed in "Section_accelerate"_Section_accelerate.html of the
|
||||||
The accelerated styles take the same arguments and should produce the
|
manual. The accelerated styles take the same arguments and should
|
||||||
same results, except for round-off and precision issues.
|
produce the same results, except for round-off and precision issues.
|
||||||
|
|
||||||
These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
||||||
packages, respectively. They are only enabled if LAMMPS was built with
|
packages, respectively. They are only enabled if LAMMPS was built with
|
||||||
@ -84,8 +84,8 @@ by including their suffix, or you can use the "-suffix command-line
|
|||||||
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
|
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
|
||||||
use the "suffix"_suffix.html command in your input script.
|
use the "suffix"_suffix.html command in your input script.
|
||||||
|
|
||||||
See "this section"_Section_accelerate.html of the manual for more
|
See "Section_accelerate"_Section_accelerate.html of the manual for
|
||||||
instructions on how to use the accelerated styles effectively.
|
more instructions on how to use the accelerated styles effectively.
|
||||||
|
|
||||||
:line
|
:line
|
||||||
|
|
||||||
|
|||||||
@ -143,10 +143,10 @@ listed under a "BondBond13 Coeffs" heading and you must leave out the
|
|||||||
|
|
||||||
<P>Styles with a <I>cuda</I>, <I>gpu</I>, <I>omp</I>, or <I>opt</I> suffix are functionally
|
<P>Styles with a <I>cuda</I>, <I>gpu</I>, <I>omp</I>, or <I>opt</I> suffix are functionally
|
||||||
the same as the corresponding style without the suffix. They have
|
the same as the corresponding style without the suffix. They have
|
||||||
been optimized to run faster, depending on your available hardware,
|
been optimized to run faster, depending on your available hardware, as
|
||||||
as discussed in <A HREF = "Section_accelerate.html">this section</A> of the manual.
|
discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A> of the
|
||||||
The accelerated styles take the same arguments and should produce the
|
manual. The accelerated styles take the same arguments and should
|
||||||
same results, except for round-off and precision issues.
|
produce the same results, except for round-off and precision issues.
|
||||||
</P>
|
</P>
|
||||||
<P>These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
<P>These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
||||||
packages, respectively. They are only enabled if LAMMPS was built with
|
packages, respectively. They are only enabled if LAMMPS was built with
|
||||||
@ -158,8 +158,8 @@ by including their suffix, or you can use the <A HREF = "Section_start.html#star
|
|||||||
switch</A> when you invoke LAMMPS, or you can
|
switch</A> when you invoke LAMMPS, or you can
|
||||||
use the <A HREF = "suffix.html">suffix</A> command in your input script.
|
use the <A HREF = "suffix.html">suffix</A> command in your input script.
|
||||||
</P>
|
</P>
|
||||||
<P>See <A HREF = "Section_accelerate.html">this section</A> of the manual for more
|
<P>See <A HREF = "Section_accelerate.html">Section_accelerate</A> of the manual for
|
||||||
instructions on how to use the accelerated styles effectively.
|
more instructions on how to use the accelerated styles effectively.
|
||||||
</P>
|
</P>
|
||||||
<HR>
|
<HR>
|
||||||
|
|
||||||
|
|||||||
@ -139,10 +139,10 @@ r3 (distance) :ul
|
|||||||
|
|
||||||
Styles with a {cuda}, {gpu}, {omp}, or {opt} suffix are functionally
|
Styles with a {cuda}, {gpu}, {omp}, or {opt} suffix are functionally
|
||||||
the same as the corresponding style without the suffix. They have
|
the same as the corresponding style without the suffix. They have
|
||||||
been optimized to run faster, depending on your available hardware,
|
been optimized to run faster, depending on your available hardware, as
|
||||||
as discussed in "this section"_Section_accelerate.html of the manual.
|
discussed in "Section_accelerate"_Section_accelerate.html of the
|
||||||
The accelerated styles take the same arguments and should produce the
|
manual. The accelerated styles take the same arguments and should
|
||||||
same results, except for round-off and precision issues.
|
produce the same results, except for round-off and precision issues.
|
||||||
|
|
||||||
These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
||||||
packages, respectively. They are only enabled if LAMMPS was built with
|
packages, respectively. They are only enabled if LAMMPS was built with
|
||||||
@ -154,8 +154,8 @@ by including their suffix, or you can use the "-suffix command-line
|
|||||||
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
|
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
|
||||||
use the "suffix"_suffix.html command in your input script.
|
use the "suffix"_suffix.html command in your input script.
|
||||||
|
|
||||||
See "this section"_Section_accelerate.html of the manual for more
|
See "Section_accelerate"_Section_accelerate.html of the manual for
|
||||||
instructions on how to use the accelerated styles effectively.
|
more instructions on how to use the accelerated styles effectively.
|
||||||
|
|
||||||
:line
|
:line
|
||||||
|
|
||||||
|
|||||||
@ -55,10 +55,10 @@ commands:
|
|||||||
|
|
||||||
<P>Styles with a <I>cuda</I>, <I>gpu</I>, <I>omp</I>, or <I>opt</I> suffix are functionally
|
<P>Styles with a <I>cuda</I>, <I>gpu</I>, <I>omp</I>, or <I>opt</I> suffix are functionally
|
||||||
the same as the corresponding style without the suffix. They have
|
the same as the corresponding style without the suffix. They have
|
||||||
been optimized to run faster, depending on your available hardware,
|
been optimized to run faster, depending on your available hardware, as
|
||||||
as discussed in <A HREF = "Section_accelerate.html">this section</A> of the manual.
|
discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A> of the
|
||||||
The accelerated styles take the same arguments and should produce the
|
manual. The accelerated styles take the same arguments and should
|
||||||
same results, except for round-off and precision issues.
|
produce the same results, except for round-off and precision issues.
|
||||||
</P>
|
</P>
|
||||||
<P>These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
<P>These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
||||||
packages, respectively. They are only enabled if LAMMPS was built with
|
packages, respectively. They are only enabled if LAMMPS was built with
|
||||||
@ -70,8 +70,8 @@ by including their suffix, or you can use the <A HREF = "Section_start.html#star
|
|||||||
switch</A> when you invoke LAMMPS, or you can
|
switch</A> when you invoke LAMMPS, or you can
|
||||||
use the <A HREF = "suffix.html">suffix</A> command in your input script.
|
use the <A HREF = "suffix.html">suffix</A> command in your input script.
|
||||||
</P>
|
</P>
|
||||||
<P>See <A HREF = "Section_accelerate.html">this section</A> of the manual for more
|
<P>See <A HREF = "Section_accelerate.html">Section_accelerate</A> of the manual for
|
||||||
instructions on how to use the accelerated styles effectively.
|
more instructions on how to use the accelerated styles effectively.
|
||||||
</P>
|
</P>
|
||||||
<HR>
|
<HR>
|
||||||
|
|
||||||
|
|||||||
@ -51,10 +51,10 @@ A (real number) :ul
|
|||||||
|
|
||||||
Styles with a {cuda}, {gpu}, {omp}, or {opt} suffix are functionally
|
Styles with a {cuda}, {gpu}, {omp}, or {opt} suffix are functionally
|
||||||
the same as the corresponding style without the suffix. They have
|
the same as the corresponding style without the suffix. They have
|
||||||
been optimized to run faster, depending on your available hardware,
|
been optimized to run faster, depending on your available hardware, as
|
||||||
as discussed in "this section"_Section_accelerate.html of the manual.
|
discussed in "Section_accelerate"_Section_accelerate.html of the
|
||||||
The accelerated styles take the same arguments and should produce the
|
manual. The accelerated styles take the same arguments and should
|
||||||
same results, except for round-off and precision issues.
|
produce the same results, except for round-off and precision issues.
|
||||||
|
|
||||||
These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
||||||
packages, respectively. They are only enabled if LAMMPS was built with
|
packages, respectively. They are only enabled if LAMMPS was built with
|
||||||
@ -66,8 +66,8 @@ by including their suffix, or you can use the "-suffix command-line
|
|||||||
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
|
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
|
||||||
use the "suffix"_suffix.html command in your input script.
|
use the "suffix"_suffix.html command in your input script.
|
||||||
|
|
||||||
See "this section"_Section_accelerate.html of the manual for more
|
See "Section_accelerate"_Section_accelerate.html of the manual for
|
||||||
instructions on how to use the accelerated styles effectively.
|
more instructions on how to use the accelerated styles effectively.
|
||||||
|
|
||||||
:line
|
:line
|
||||||
|
|
||||||
|
|||||||
@ -41,10 +41,10 @@ or <A HREF = "read_restart.html">read_restart</A> commands:
|
|||||||
|
|
||||||
<P>Styles with a <I>cuda</I>, <I>gpu</I>, <I>omp</I>, or <I>opt</I> suffix are functionally
|
<P>Styles with a <I>cuda</I>, <I>gpu</I>, <I>omp</I>, or <I>opt</I> suffix are functionally
|
||||||
the same as the corresponding style without the suffix. They have
|
the same as the corresponding style without the suffix. They have
|
||||||
been optimized to run faster, depending on your available hardware,
|
been optimized to run faster, depending on your available hardware, as
|
||||||
as discussed in <A HREF = "Section_accelerate.html">this section</A> of the manual.
|
discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A> of the
|
||||||
The accelerated styles take the same arguments and should produce the
|
manual. The accelerated styles take the same arguments and should
|
||||||
same results, except for round-off and precision issues.
|
produce the same results, except for round-off and precision issues.
|
||||||
</P>
|
</P>
|
||||||
<P>These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
<P>These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
||||||
packages, respectively. They are only enabled if LAMMPS was built with
|
packages, respectively. They are only enabled if LAMMPS was built with
|
||||||
@ -56,8 +56,8 @@ by including their suffix, or you can use the <A HREF = "Section_start.html#star
|
|||||||
switch</A> when you invoke LAMMPS, or you can
|
switch</A> when you invoke LAMMPS, or you can
|
||||||
use the <A HREF = "suffix.html">suffix</A> command in your input script.
|
use the <A HREF = "suffix.html">suffix</A> command in your input script.
|
||||||
</P>
|
</P>
|
||||||
<P>See <A HREF = "Section_accelerate.html">this section</A> of the manual for more
|
<P>See <A HREF = "Section_accelerate.html">Section_accelerate</A> of the manual for
|
||||||
instructions on how to use the accelerated styles effectively.
|
more instructions on how to use the accelerated styles effectively.
|
||||||
</P>
|
</P>
|
||||||
<HR>
|
<HR>
|
||||||
|
|
||||||
|
|||||||
@ -37,10 +37,10 @@ n (integer >= 0) :ul
|
|||||||
|
|
||||||
Styles with a {cuda}, {gpu}, {omp}, or {opt} suffix are functionally
|
Styles with a {cuda}, {gpu}, {omp}, or {opt} suffix are functionally
|
||||||
the same as the corresponding style without the suffix. They have
|
the same as the corresponding style without the suffix. They have
|
||||||
been optimized to run faster, depending on your available hardware,
|
been optimized to run faster, depending on your available hardware, as
|
||||||
as discussed in "this section"_Section_accelerate.html of the manual.
|
discussed in "Section_accelerate"_Section_accelerate.html of the
|
||||||
The accelerated styles take the same arguments and should produce the
|
manual. The accelerated styles take the same arguments and should
|
||||||
same results, except for round-off and precision issues.
|
produce the same results, except for round-off and precision issues.
|
||||||
|
|
||||||
These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
||||||
packages, respectively. They are only enabled if LAMMPS was built with
|
packages, respectively. They are only enabled if LAMMPS was built with
|
||||||
@ -52,8 +52,8 @@ by including their suffix, or you can use the "-suffix command-line
|
|||||||
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
|
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
|
||||||
use the "suffix"_suffix.html command in your input script.
|
use the "suffix"_suffix.html command in your input script.
|
||||||
|
|
||||||
See "this section"_Section_accelerate.html of the manual for more
|
See "Section_accelerate"_Section_accelerate.html of the manual for
|
||||||
instructions on how to use the accelerated styles effectively.
|
more instructions on how to use the accelerated styles effectively.
|
||||||
|
|
||||||
:line
|
:line
|
||||||
|
|
||||||
|
|||||||
@ -49,10 +49,10 @@ or <A HREF = "read_restart.html">read_restart</A> commands:
|
|||||||
|
|
||||||
<P>Styles with a <I>cuda</I>, <I>gpu</I>, <I>omp</I>, or <I>opt</I> suffix are functionally
|
<P>Styles with a <I>cuda</I>, <I>gpu</I>, <I>omp</I>, or <I>opt</I> suffix are functionally
|
||||||
the same as the corresponding style without the suffix. They have
|
the same as the corresponding style without the suffix. They have
|
||||||
been optimized to run faster, depending on your available hardware,
|
been optimized to run faster, depending on your available hardware, as
|
||||||
as discussed in <A HREF = "Section_accelerate.html">this section</A> of the manual.
|
discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A> of the
|
||||||
The accelerated styles take the same arguments and should produce the
|
manual. The accelerated styles take the same arguments and should
|
||||||
same results, except for round-off and precision issues.
|
produce the same results, except for round-off and precision issues.
|
||||||
</P>
|
</P>
|
||||||
<P>These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
<P>These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
||||||
packages, respectively. They are only enabled if LAMMPS was built with
|
packages, respectively. They are only enabled if LAMMPS was built with
|
||||||
@ -64,8 +64,8 @@ by including their suffix, or you can use the <A HREF = "Section_start.html#star
|
|||||||
switch</A> when you invoke LAMMPS, or you can
|
switch</A> when you invoke LAMMPS, or you can
|
||||||
use the <A HREF = "suffix.html">suffix</A> command in your input script.
|
use the <A HREF = "suffix.html">suffix</A> command in your input script.
|
||||||
</P>
|
</P>
|
||||||
<P>See <A HREF = "Section_accelerate.html">this section</A> of the manual for more
|
<P>See <A HREF = "Section_accelerate.html">Section_accelerate</A> of the manual for
|
||||||
instructions on how to use the accelerated styles effectively.
|
more instructions on how to use the accelerated styles effectively.
|
||||||
</P>
|
</P>
|
||||||
<HR>
|
<HR>
|
||||||
|
|
||||||
|
|||||||
@ -45,10 +45,10 @@ C (energy) :ul
|
|||||||
|
|
||||||
Styles with a {cuda}, {gpu}, {omp}, or {opt} suffix are functionally
|
Styles with a {cuda}, {gpu}, {omp}, or {opt} suffix are functionally
|
||||||
the same as the corresponding style without the suffix. They have
|
the same as the corresponding style without the suffix. They have
|
||||||
been optimized to run faster, depending on your available hardware,
|
been optimized to run faster, depending on your available hardware, as
|
||||||
as discussed in "this section"_Section_accelerate.html of the manual.
|
discussed in "Section_accelerate"_Section_accelerate.html of the
|
||||||
The accelerated styles take the same arguments and should produce the
|
manual. The accelerated styles take the same arguments and should
|
||||||
same results, except for round-off and precision issues.
|
produce the same results, except for round-off and precision issues.
|
||||||
|
|
||||||
These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
||||||
packages, respectively. They are only enabled if LAMMPS was built with
|
packages, respectively. They are only enabled if LAMMPS was built with
|
||||||
@ -60,8 +60,8 @@ by including their suffix, or you can use the "-suffix command-line
|
|||||||
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
|
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
|
||||||
use the "suffix"_suffix.html command in your input script.
|
use the "suffix"_suffix.html command in your input script.
|
||||||
|
|
||||||
See "this section"_Section_accelerate.html of the manual for more
|
See "Section_accelerate"_Section_accelerate.html of the manual for
|
||||||
instructions on how to use the accelerated styles effectively.
|
more instructions on how to use the accelerated styles effectively.
|
||||||
|
|
||||||
:line
|
:line
|
||||||
|
|
||||||
|
|||||||
@ -43,10 +43,10 @@ or <A HREF = "read_restart.html">read_restart</A> commands:
|
|||||||
|
|
||||||
<P>Styles with a <I>cuda</I>, <I>gpu</I>, <I>omp</I>, or <I>opt</I> suffix are functionally
|
<P>Styles with a <I>cuda</I>, <I>gpu</I>, <I>omp</I>, or <I>opt</I> suffix are functionally
|
||||||
the same as the corresponding style without the suffix. They have
|
the same as the corresponding style without the suffix. They have
|
||||||
been optimized to run faster, depending on your available hardware,
|
been optimized to run faster, depending on your available hardware, as
|
||||||
as discussed in <A HREF = "Section_accelerate.html">this section</A> of the manual.
|
discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A> of the
|
||||||
The accelerated styles take the same arguments and should produce the
|
manual. The accelerated styles take the same arguments and should
|
||||||
same results, except for round-off and precision issues.
|
produce the same results, except for round-off and precision issues.
|
||||||
</P>
|
</P>
|
||||||
<P>These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
<P>These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
||||||
packages, respectively. They are only enabled if LAMMPS was built with
|
packages, respectively. They are only enabled if LAMMPS was built with
|
||||||
@ -58,8 +58,8 @@ by including their suffix, or you can use the <A HREF = "Section_start.html#star
|
|||||||
switch</A> when you invoke LAMMPS, or you can
|
switch</A> when you invoke LAMMPS, or you can
|
||||||
use the <A HREF = "suffix.html">suffix</A> command in your input script.
|
use the <A HREF = "suffix.html">suffix</A> command in your input script.
|
||||||
</P>
|
</P>
|
||||||
<P>See <A HREF = "Section_accelerate.html">this section</A> of the manual for more
|
<P>See <A HREF = "Section_accelerate.html">Section_accelerate</A> of the manual for
|
||||||
instructions on how to use the accelerated styles effectively.
|
more instructions on how to use the accelerated styles effectively.
|
||||||
</P>
|
</P>
|
||||||
<HR>
|
<HR>
|
||||||
|
|
||||||
|
|||||||
@ -39,10 +39,10 @@ A5 (energy) :ul
|
|||||||
|
|
||||||
Styles with a {cuda}, {gpu}, {omp}, or {opt} suffix are functionally
|
Styles with a {cuda}, {gpu}, {omp}, or {opt} suffix are functionally
|
||||||
the same as the corresponding style without the suffix. They have
|
the same as the corresponding style without the suffix. They have
|
||||||
been optimized to run faster, depending on your available hardware,
|
been optimized to run faster, depending on your available hardware, as
|
||||||
as discussed in "this section"_Section_accelerate.html of the manual.
|
discussed in "Section_accelerate"_Section_accelerate.html of the
|
||||||
The accelerated styles take the same arguments and should produce the
|
manual. The accelerated styles take the same arguments and should
|
||||||
same results, except for round-off and precision issues.
|
produce the same results, except for round-off and precision issues.
|
||||||
|
|
||||||
These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
||||||
packages, respectively. They are only enabled if LAMMPS was built with
|
packages, respectively. They are only enabled if LAMMPS was built with
|
||||||
@ -54,8 +54,8 @@ by including their suffix, or you can use the "-suffix command-line
|
|||||||
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
|
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
|
||||||
use the "suffix"_suffix.html command in your input script.
|
use the "suffix"_suffix.html command in your input script.
|
||||||
|
|
||||||
See "this section"_Section_accelerate.html of the manual for more
|
See "Section_accelerate"_Section_accelerate.html of the manual for
|
||||||
instructions on how to use the accelerated styles effectively.
|
more instructions on how to use the accelerated styles effectively.
|
||||||
|
|
||||||
:line
|
:line
|
||||||
|
|
||||||
|
|||||||
@ -47,10 +47,10 @@ or <A HREF = "read_restart.html">read_restart</A> commands:
|
|||||||
|
|
||||||
<P>Styles with a <I>cuda</I>, <I>gpu</I>, <I>omp</I>, or <I>opt</I> suffix are functionally
|
<P>Styles with a <I>cuda</I>, <I>gpu</I>, <I>omp</I>, or <I>opt</I> suffix are functionally
|
||||||
the same as the corresponding style without the suffix. They have
|
the same as the corresponding style without the suffix. They have
|
||||||
been optimized to run faster, depending on your available hardware,
|
been optimized to run faster, depending on your available hardware, as
|
||||||
as discussed in <A HREF = "Section_accelerate.html">this section</A> of the manual.
|
discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A> of the
|
||||||
The accelerated styles take the same arguments and should produce the
|
manual. The accelerated styles take the same arguments and should
|
||||||
same results, except for round-off and precision issues.
|
produce the same results, except for round-off and precision issues.
|
||||||
</P>
|
</P>
|
||||||
<P>These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
<P>These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
||||||
packages, respectively. They are only enabled if LAMMPS was built with
|
packages, respectively. They are only enabled if LAMMPS was built with
|
||||||
@ -62,8 +62,8 @@ by including their suffix, or you can use the <A HREF = "Section_start.html#star
|
|||||||
switch</A> when you invoke LAMMPS, or you can
|
switch</A> when you invoke LAMMPS, or you can
|
||||||
use the <A HREF = "suffix.html">suffix</A> command in your input script.
|
use the <A HREF = "suffix.html">suffix</A> command in your input script.
|
||||||
</P>
|
</P>
|
||||||
<P>See <A HREF = "Section_accelerate.html">this section</A> of the manual for more
|
<P>See <A HREF = "Section_accelerate.html">Section_accelerate</A> of the manual for
|
||||||
instructions on how to use the accelerated styles effectively.
|
more instructions on how to use the accelerated styles effectively.
|
||||||
</P>
|
</P>
|
||||||
<HR>
|
<HR>
|
||||||
|
|
||||||
|
|||||||
@ -43,10 +43,10 @@ K4 (energy) :ul
|
|||||||
|
|
||||||
Styles with a {cuda}, {gpu}, {omp}, or {opt} suffix are functionally
|
Styles with a {cuda}, {gpu}, {omp}, or {opt} suffix are functionally
|
||||||
the same as the corresponding style without the suffix. They have
|
the same as the corresponding style without the suffix. They have
|
||||||
been optimized to run faster, depending on your available hardware,
|
been optimized to run faster, depending on your available hardware, as
|
||||||
as discussed in "this section"_Section_accelerate.html of the manual.
|
discussed in "Section_accelerate"_Section_accelerate.html of the
|
||||||
The accelerated styles take the same arguments and should produce the
|
manual. The accelerated styles take the same arguments and should
|
||||||
same results, except for round-off and precision issues.
|
produce the same results, except for round-off and precision issues.
|
||||||
|
|
||||||
These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
||||||
packages, respectively. They are only enabled if LAMMPS was built with
|
packages, respectively. They are only enabled if LAMMPS was built with
|
||||||
@ -58,8 +58,8 @@ by including their suffix, or you can use the "-suffix command-line
|
|||||||
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
|
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
|
||||||
use the "suffix"_suffix.html command in your input script.
|
use the "suffix"_suffix.html command in your input script.
|
||||||
|
|
||||||
See "this section"_Section_accelerate.html of the manual for more
|
See "Section_accelerate"_Section_accelerate.html of the manual for
|
||||||
instructions on how to use the accelerated styles effectively.
|
more instructions on how to use the accelerated styles effectively.
|
||||||
|
|
||||||
:line
|
:line
|
||||||
|
|
||||||
|
|||||||
@ -29,8 +29,8 @@ prior to setting up a simulation box via the
|
|||||||
<A HREF = "create_box.html">create_box</A> or <A HREF = "read_data.html">read_data</A> commands.
|
<A HREF = "create_box.html">create_box</A> or <A HREF = "read_data.html">read_data</A> commands.
|
||||||
Restart files also store this setting.
|
Restart files also store this setting.
|
||||||
</P>
|
</P>
|
||||||
<P>See the discussion in <A HREF = "Section_howto.html">this section</A> for additional
|
<P>See the discussion in <A HREF = "Section_howto.html">Section_howto</A> for
|
||||||
instructions on how to run 2d simulations.
|
additional instructions on how to run 2d simulations.
|
||||||
</P>
|
</P>
|
||||||
<P>IMPORTANT NOTE: Some models in LAMMPS treat particles as extended
|
<P>IMPORTANT NOTE: Some models in LAMMPS treat particles as extended
|
||||||
spheres or ellipsoids, as opposed to point particles. In 2d, the
|
spheres or ellipsoids, as opposed to point particles. In 2d, the
|
||||||
|
|||||||
@ -26,8 +26,8 @@ prior to setting up a simulation box via the
|
|||||||
"create_box"_create_box.html or "read_data"_read_data.html commands.
|
"create_box"_create_box.html or "read_data"_read_data.html commands.
|
||||||
Restart files also store this setting.
|
Restart files also store this setting.
|
||||||
|
|
||||||
See the discussion in "this section"_Section_howto.html for additional
|
See the discussion in "Section_howto"_Section_howto.html for
|
||||||
instructions on how to run 2d simulations.
|
additional instructions on how to run 2d simulations.
|
||||||
|
|
||||||
IMPORTANT NOTE: Some models in LAMMPS treat particles as extended
|
IMPORTANT NOTE: Some models in LAMMPS treat particles as extended
|
||||||
spheres or ellipsoids, as opposed to point particles. In 2d, the
|
spheres or ellipsoids, as opposed to point particles. In 2d, the
|
||||||
|
|||||||
@ -498,7 +498,7 @@ invoke other computes, fixes, or variables when they are evaluated, so
|
|||||||
this is a very general means of creating quantities to output to a
|
this is a very general means of creating quantities to output to a
|
||||||
dump file.
|
dump file.
|
||||||
</P>
|
</P>
|
||||||
<P>See <A HREF = "Section_modify.html">this section</A> of the manual for information
|
<P>See <A HREF = "Section_modify.html">Section_modify</A> of the manual for information
|
||||||
on how to add new compute and fix styles to LAMMPS to calculate
|
on how to add new compute and fix styles to LAMMPS to calculate
|
||||||
per-atom quantities which could then be output into dump files.
|
per-atom quantities which could then be output into dump files.
|
||||||
</P>
|
</P>
|
||||||
|
|||||||
@ -487,7 +487,7 @@ invoke other computes, fixes, or variables when they are evaluated, so
|
|||||||
this is a very general means of creating quantities to output to a
|
this is a very general means of creating quantities to output to a
|
||||||
dump file.
|
dump file.
|
||||||
|
|
||||||
See "this section"_Section_modify.html of the manual for information
|
See "Section_modify"_Section_modify.html of the manual for information
|
||||||
on how to add new compute and fix styles to LAMMPS to calculate
|
on how to add new compute and fix styles to LAMMPS to calculate
|
||||||
per-atom quantities which could then be output into dump files.
|
per-atom quantities which could then be output into dump files.
|
||||||
|
|
||||||
|
|||||||
@ -414,7 +414,7 @@ obviously play movie files directly.
|
|||||||
</UL>
|
</UL>
|
||||||
<HR>
|
<HR>
|
||||||
|
|
||||||
<P>See <A HREF = "Section_modify.html">this section</A> of the manual for information
|
<P>See <A HREF = "Section_modify.html">Section_modify</A> of the manual for information
|
||||||
on how to add new compute and fix styles to LAMMPS to calculate
|
on how to add new compute and fix styles to LAMMPS to calculate
|
||||||
per-atom quantities which could then be output into dump files.
|
per-atom quantities which could then be output into dump files.
|
||||||
</P>
|
</P>
|
||||||
|
|||||||
@ -400,7 +400,7 @@ obviously play movie files directly. :ule,l
|
|||||||
|
|
||||||
:line
|
:line
|
||||||
|
|
||||||
See "this section"_Section_modify.html of the manual for information
|
See "Section_modify"_Section_modify.html of the manual for information
|
||||||
on how to add new compute and fix styles to LAMMPS to calculate
|
on how to add new compute and fix styles to LAMMPS to calculate
|
||||||
per-atom quantities which could then be output into dump files.
|
per-atom quantities which could then be output into dump files.
|
||||||
|
|
||||||
|
|||||||
@ -112,9 +112,9 @@ converge properly.
|
|||||||
<P>Styles with a <I>cuda</I> suffix are functionally the same as the
|
<P>Styles with a <I>cuda</I> suffix are functionally the same as the
|
||||||
corresponding style without the suffix. They have been optimized to
|
corresponding style without the suffix. They have been optimized to
|
||||||
run faster, depending on your available hardware, as discussed in
|
run faster, depending on your available hardware, as discussed in
|
||||||
<A HREF = "Section_accelerate.html">this section</A> of the manual. The accelerated
|
<A HREF = "Section_accelerate.html">Section_accelerate</A> of the manual. The
|
||||||
styles take the same arguments and should produce the same results,
|
accelerated styles take the same arguments and should produce the same
|
||||||
except for round-off and precision issues.
|
results, except for round-off and precision issues.
|
||||||
</P>
|
</P>
|
||||||
<P>These accelerated styles are part of the USER-CUDA package. They are
|
<P>These accelerated styles are part of the USER-CUDA package. They are
|
||||||
only enabled if LAMMPS was built with that package. See the <A HREF = "Section_start.html#start_3">Making
|
only enabled if LAMMPS was built with that package. See the <A HREF = "Section_start.html#start_3">Making
|
||||||
@ -125,8 +125,8 @@ by including their suffix, or you can use the <A HREF = "Section_start.html#star
|
|||||||
switch</A> when you invoke LAMMPS, or you can
|
switch</A> when you invoke LAMMPS, or you can
|
||||||
use the <A HREF = "suffix.html">suffix</A> command in your input script.
|
use the <A HREF = "suffix.html">suffix</A> command in your input script.
|
||||||
</P>
|
</P>
|
||||||
<P>See <A HREF = "Section_accelerate.html">this section</A> of the manual for more
|
<P>See <A HREF = "Section_accelerate.html">Section_accelerate</A> of the manual for
|
||||||
instructions on how to use the accelerated styles effectively.
|
more instructions on how to use the accelerated styles effectively.
|
||||||
</P>
|
</P>
|
||||||
<HR>
|
<HR>
|
||||||
|
|
||||||
|
|||||||
@ -101,9 +101,9 @@ converge properly.
|
|||||||
Styles with a {cuda} suffix are functionally the same as the
|
Styles with a {cuda} suffix are functionally the same as the
|
||||||
corresponding style without the suffix. They have been optimized to
|
corresponding style without the suffix. They have been optimized to
|
||||||
run faster, depending on your available hardware, as discussed in
|
run faster, depending on your available hardware, as discussed in
|
||||||
"this section"_Section_accelerate.html of the manual. The accelerated
|
"Section_accelerate"_Section_accelerate.html of the manual. The
|
||||||
styles take the same arguments and should produce the same results,
|
accelerated styles take the same arguments and should produce the same
|
||||||
except for round-off and precision issues.
|
results, except for round-off and precision issues.
|
||||||
|
|
||||||
These accelerated styles are part of the USER-CUDA package. They are
|
These accelerated styles are part of the USER-CUDA package. They are
|
||||||
only enabled if LAMMPS was built with that package. See the "Making
|
only enabled if LAMMPS was built with that package. See the "Making
|
||||||
@ -114,8 +114,8 @@ by including their suffix, or you can use the "-suffix command-line
|
|||||||
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
|
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
|
||||||
use the "suffix"_suffix.html command in your input script.
|
use the "suffix"_suffix.html command in your input script.
|
||||||
|
|
||||||
See "this section"_Section_accelerate.html of the manual for more
|
See "Section_accelerate"_Section_accelerate.html of the manual for
|
||||||
instructions on how to use the accelerated styles effectively.
|
more instructions on how to use the accelerated styles effectively.
|
||||||
|
|
||||||
:line
|
:line
|
||||||
|
|
||||||
|
|||||||
@ -78,9 +78,9 @@ to it.
|
|||||||
<P>Styles with a <I>cuda</I> suffix are functionally the same as the
|
<P>Styles with a <I>cuda</I> suffix are functionally the same as the
|
||||||
corresponding style without the suffix. They have been optimized to
|
corresponding style without the suffix. They have been optimized to
|
||||||
run faster, depending on your available hardware, as discussed in
|
run faster, depending on your available hardware, as discussed in
|
||||||
<A HREF = "Section_accelerate.html">this section</A> of the manual. The accelerated
|
<A HREF = "Section_accelerate.html">Section_accelerate</A> of the manual. The
|
||||||
styles take the same arguments and should produce the same results,
|
accelerated styles take the same arguments and should produce the same
|
||||||
except for round-off and precision issues.
|
results, except for round-off and precision issues.
|
||||||
</P>
|
</P>
|
||||||
<P>These accelerated styles are part of the USER-CUDA package. They are
|
<P>These accelerated styles are part of the USER-CUDA package. They are
|
||||||
only enabled if LAMMPS was built with that package. See the <A HREF = "Section_start.html#start_3">Making
|
only enabled if LAMMPS was built with that package. See the <A HREF = "Section_start.html#start_3">Making
|
||||||
@ -91,8 +91,8 @@ by including their suffix, or you can use the <A HREF = "Section_start.html#star
|
|||||||
switch</A> when you invoke LAMMPS, or you can
|
switch</A> when you invoke LAMMPS, or you can
|
||||||
use the <A HREF = "suffix.html">suffix</A> command in your input script.
|
use the <A HREF = "suffix.html">suffix</A> command in your input script.
|
||||||
</P>
|
</P>
|
||||||
<P>See <A HREF = "Section_accelerate.html">this section</A> of the manual for more
|
<P>See <A HREF = "Section_accelerate.html">Section_accelerate</A> of the manual for
|
||||||
instructions on how to use the accelerated styles effectively.
|
more instructions on how to use the accelerated styles effectively.
|
||||||
</P>
|
</P>
|
||||||
<HR>
|
<HR>
|
||||||
|
|
||||||
|
|||||||
@ -67,9 +67,9 @@ to it.
|
|||||||
Styles with a {cuda} suffix are functionally the same as the
|
Styles with a {cuda} suffix are functionally the same as the
|
||||||
corresponding style without the suffix. They have been optimized to
|
corresponding style without the suffix. They have been optimized to
|
||||||
run faster, depending on your available hardware, as discussed in
|
run faster, depending on your available hardware, as discussed in
|
||||||
"this section"_Section_accelerate.html of the manual. The accelerated
|
"Section_accelerate"_Section_accelerate.html of the manual. The
|
||||||
styles take the same arguments and should produce the same results,
|
accelerated styles take the same arguments and should produce the same
|
||||||
except for round-off and precision issues.
|
results, except for round-off and precision issues.
|
||||||
|
|
||||||
These accelerated styles are part of the USER-CUDA package. They are
|
These accelerated styles are part of the USER-CUDA package. They are
|
||||||
only enabled if LAMMPS was built with that package. See the "Making
|
only enabled if LAMMPS was built with that package. See the "Making
|
||||||
@ -80,8 +80,8 @@ by including their suffix, or you can use the "-suffix command-line
|
|||||||
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
|
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
|
||||||
use the "suffix"_suffix.html command in your input script.
|
use the "suffix"_suffix.html command in your input script.
|
||||||
|
|
||||||
See "this section"_Section_accelerate.html of the manual for more
|
See "Section_accelerate"_Section_accelerate.html of the manual for
|
||||||
instructions on how to use the accelerated styles effectively.
|
more instructions on how to use the accelerated styles effectively.
|
||||||
|
|
||||||
:line
|
:line
|
||||||
|
|
||||||
|
|||||||
@ -35,9 +35,9 @@ not move from their initial z coordinate.
|
|||||||
<P>Styles with a <I>cuda</I> suffix are functionally the same as the
|
<P>Styles with a <I>cuda</I> suffix are functionally the same as the
|
||||||
corresponding style without the suffix. They have been optimized to
|
corresponding style without the suffix. They have been optimized to
|
||||||
run faster, depending on your available hardware, as discussed in
|
run faster, depending on your available hardware, as discussed in
|
||||||
<A HREF = "Section_accelerate.html">this section</A> of the manual. The accelerated
|
<A HREF = "Section_accelerate.html">Section_accelerate</A> of the manual. The
|
||||||
styles take the same arguments and should produce the same results,
|
accelerated styles take the same arguments and should produce the same
|
||||||
except for round-off and precision issues.
|
results, except for round-off and precision issues.
|
||||||
</P>
|
</P>
|
||||||
<P>These accelerated styles are part of the USER-CUDA package. They are
|
<P>These accelerated styles are part of the USER-CUDA package. They are
|
||||||
only enabled if LAMMPS was built with that package. See the <A HREF = "Section_start.html#start_3">Making
|
only enabled if LAMMPS was built with that package. See the <A HREF = "Section_start.html#start_3">Making
|
||||||
@ -48,8 +48,8 @@ by including their suffix, or you can use the <A HREF = "Section_start.html#star
|
|||||||
switch</A> when you invoke LAMMPS, or you can
|
switch</A> when you invoke LAMMPS, or you can
|
||||||
use the <A HREF = "suffix.html">suffix</A> command in your input script.
|
use the <A HREF = "suffix.html">suffix</A> command in your input script.
|
||||||
</P>
|
</P>
|
||||||
<P>See <A HREF = "Section_accelerate.html">this section</A> of the manual for more
|
<P>See <A HREF = "Section_accelerate.html">Section_accelerate</A> of the manual for
|
||||||
instructions on how to use the accelerated styles effectively.
|
more instructions on how to use the accelerated styles effectively.
|
||||||
</P>
|
</P>
|
||||||
<HR>
|
<HR>
|
||||||
|
|
||||||
|
|||||||
@ -31,9 +31,9 @@ not move from their initial z coordinate.
|
|||||||
Styles with a {cuda} suffix are functionally the same as the
|
Styles with a {cuda} suffix are functionally the same as the
|
||||||
corresponding style without the suffix. They have been optimized to
|
corresponding style without the suffix. They have been optimized to
|
||||||
run faster, depending on your available hardware, as discussed in
|
run faster, depending on your available hardware, as discussed in
|
||||||
"this section"_Section_accelerate.html of the manual. The accelerated
|
"Section_accelerate"_Section_accelerate.html of the manual. The
|
||||||
styles take the same arguments and should produce the same results,
|
accelerated styles take the same arguments and should produce the same
|
||||||
except for round-off and precision issues.
|
results, except for round-off and precision issues.
|
||||||
|
|
||||||
These accelerated styles are part of the USER-CUDA package. They are
|
These accelerated styles are part of the USER-CUDA package. They are
|
||||||
only enabled if LAMMPS was built with that package. See the "Making
|
only enabled if LAMMPS was built with that package. See the "Making
|
||||||
@ -44,8 +44,8 @@ by including their suffix, or you can use the "-suffix command-line
|
|||||||
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
|
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
|
||||||
use the "suffix"_suffix.html command in your input script.
|
use the "suffix"_suffix.html command in your input script.
|
||||||
|
|
||||||
See "this section"_Section_accelerate.html of the manual for more
|
See "Section_accelerate"_Section_accelerate.html of the manual for
|
||||||
instructions on how to use the accelerated styles effectively.
|
more instructions on how to use the accelerated styles effectively.
|
||||||
|
|
||||||
:line
|
:line
|
||||||
|
|
||||||
|
|||||||
@ -37,9 +37,9 @@ particles appropriately, as if the frozen particle has infinite mass.
|
|||||||
<P>Styles with a <I>cuda</I> suffix are functionally the same as the
|
<P>Styles with a <I>cuda</I> suffix are functionally the same as the
|
||||||
corresponding style without the suffix. They have been optimized to
|
corresponding style without the suffix. They have been optimized to
|
||||||
run faster, depending on your available hardware, as discussed in
|
run faster, depending on your available hardware, as discussed in
|
||||||
<A HREF = "Section_accelerate.html">this section</A> of the manual. The accelerated
|
<A HREF = "Section_accelerate.html">Section_accelerate</A> of the manual. The
|
||||||
styles take the same arguments and should produce the same results,
|
accelerated styles take the same arguments and should produce the same
|
||||||
except for round-off and precision issues.
|
results, except for round-off and precision issues.
|
||||||
</P>
|
</P>
|
||||||
<P>These accelerated styles are part of the USER-CUDA package. They are
|
<P>These accelerated styles are part of the USER-CUDA package. They are
|
||||||
only enabled if LAMMPS was built with that package. See the <A HREF = "Section_start.html#start_3">Making
|
only enabled if LAMMPS was built with that package. See the <A HREF = "Section_start.html#start_3">Making
|
||||||
@ -50,8 +50,8 @@ by including their suffix, or you can use the <A HREF = "Section_start.html#star
|
|||||||
switch</A> when you invoke LAMMPS, or you can
|
switch</A> when you invoke LAMMPS, or you can
|
||||||
use the <A HREF = "suffix.html">suffix</A> command in your input script.
|
use the <A HREF = "suffix.html">suffix</A> command in your input script.
|
||||||
</P>
|
</P>
|
||||||
<P>See <A HREF = "Section_accelerate.html">this section</A> of the manual for more
|
<P>See <A HREF = "Section_accelerate.html">Section_accelerate</A> of the manual for
|
||||||
instructions on how to use the accelerated styles effectively.
|
more instructions on how to use the accelerated styles effectively.
|
||||||
</P>
|
</P>
|
||||||
<HR>
|
<HR>
|
||||||
|
|
||||||
|
|||||||
@ -33,9 +33,9 @@ particles appropriately, as if the frozen particle has infinite mass.
|
|||||||
Styles with a {cuda} suffix are functionally the same as the
|
Styles with a {cuda} suffix are functionally the same as the
|
||||||
corresponding style without the suffix. They have been optimized to
|
corresponding style without the suffix. They have been optimized to
|
||||||
run faster, depending on your available hardware, as discussed in
|
run faster, depending on your available hardware, as discussed in
|
||||||
"this section"_Section_accelerate.html of the manual. The accelerated
|
"Section_accelerate"_Section_accelerate.html of the manual. The
|
||||||
styles take the same arguments and should produce the same results,
|
accelerated styles take the same arguments and should produce the same
|
||||||
except for round-off and precision issues.
|
results, except for round-off and precision issues.
|
||||||
|
|
||||||
These accelerated styles are part of the USER-CUDA package. They are
|
These accelerated styles are part of the USER-CUDA package. They are
|
||||||
only enabled if LAMMPS was built with that package. See the "Making
|
only enabled if LAMMPS was built with that package. See the "Making
|
||||||
@ -46,8 +46,8 @@ by including their suffix, or you can use the "-suffix command-line
|
|||||||
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
|
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
|
||||||
use the "suffix"_suffix.html command in your input script.
|
use the "suffix"_suffix.html command in your input script.
|
||||||
|
|
||||||
See "this section"_Section_accelerate.html of the manual for more
|
See "Section_accelerate"_Section_accelerate.html of the manual for
|
||||||
instructions on how to use the accelerated styles effectively.
|
more instructions on how to use the accelerated styles effectively.
|
||||||
|
|
||||||
:line
|
:line
|
||||||
|
|
||||||
|
|||||||
@ -93,10 +93,10 @@ by (x,y,z). For 2d systems, the z component is ignored.
|
|||||||
|
|
||||||
<P>Styles with a <I>cuda</I>, <I>gpu</I>, <I>omp</I>, or <I>opt</I> suffix are functionally
|
<P>Styles with a <I>cuda</I>, <I>gpu</I>, <I>omp</I>, or <I>opt</I> suffix are functionally
|
||||||
the same as the corresponding style without the suffix. They have
|
the same as the corresponding style without the suffix. They have
|
||||||
been optimized to run faster, depending on your available hardware,
|
been optimized to run faster, depending on your available hardware, as
|
||||||
as discussed in <A HREF = "Section_accelerate.html">this section</A> of the manual.
|
discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A> of the
|
||||||
The accelerated styles take the same arguments and should produce the
|
manual. The accelerated styles take the same arguments and should
|
||||||
same results, except for round-off and precision issues.
|
produce the same results, except for round-off and precision issues.
|
||||||
</P>
|
</P>
|
||||||
<P>These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
<P>These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
||||||
packages, respectively. They are only enabled if LAMMPS was built with
|
packages, respectively. They are only enabled if LAMMPS was built with
|
||||||
@ -108,8 +108,8 @@ by including their suffix, or you can use the <A HREF = "Section_start.html#star
|
|||||||
switch</A> when you invoke LAMMPS, or you can
|
switch</A> when you invoke LAMMPS, or you can
|
||||||
use the <A HREF = "suffix.html">suffix</A> command in your input script.
|
use the <A HREF = "suffix.html">suffix</A> command in your input script.
|
||||||
</P>
|
</P>
|
||||||
<P>See <A HREF = "Section_accelerate.html">this section</A> of the manual for more
|
<P>See <A HREF = "Section_accelerate.html">Section_accelerate</A> of the manual for
|
||||||
instructions on how to use the accelerated styles effectively.
|
more instructions on how to use the accelerated styles effectively.
|
||||||
</P>
|
</P>
|
||||||
<HR>
|
<HR>
|
||||||
|
|
||||||
|
|||||||
@ -83,10 +83,10 @@ by (x,y,z). For 2d systems, the z component is ignored.
|
|||||||
|
|
||||||
Styles with a {cuda}, {gpu}, {omp}, or {opt} suffix are functionally
|
Styles with a {cuda}, {gpu}, {omp}, or {opt} suffix are functionally
|
||||||
the same as the corresponding style without the suffix. They have
|
the same as the corresponding style without the suffix. They have
|
||||||
been optimized to run faster, depending on your available hardware,
|
been optimized to run faster, depending on your available hardware, as
|
||||||
as discussed in "this section"_Section_accelerate.html of the manual.
|
discussed in "Section_accelerate"_Section_accelerate.html of the
|
||||||
The accelerated styles take the same arguments and should produce the
|
manual. The accelerated styles take the same arguments and should
|
||||||
same results, except for round-off and precision issues.
|
produce the same results, except for round-off and precision issues.
|
||||||
|
|
||||||
These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
||||||
packages, respectively. They are only enabled if LAMMPS was built with
|
packages, respectively. They are only enabled if LAMMPS was built with
|
||||||
@ -98,8 +98,8 @@ by including their suffix, or you can use the "-suffix command-line
|
|||||||
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
|
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
|
||||||
use the "suffix"_suffix.html command in your input script.
|
use the "suffix"_suffix.html command in your input script.
|
||||||
|
|
||||||
See "this section"_Section_accelerate.html of the manual for more
|
See "Section_accelerate"_Section_accelerate.html of the manual for
|
||||||
instructions on how to use the accelerated styles effectively.
|
more instructions on how to use the accelerated styles effectively.
|
||||||
|
|
||||||
:line
|
:line
|
||||||
|
|
||||||
|
|||||||
@ -376,9 +376,9 @@ thermal degrees of freedom, and the bias is added back in.
|
|||||||
<P>Styles with a <I>cuda</I> suffix are functionally the same as the
|
<P>Styles with a <I>cuda</I> suffix are functionally the same as the
|
||||||
corresponding style without the suffix. They have been optimized to
|
corresponding style without the suffix. They have been optimized to
|
||||||
run faster, depending on your available hardware, as discussed in
|
run faster, depending on your available hardware, as discussed in
|
||||||
<A HREF = "Section_accelerate.html">this section</A> of the manual. The accelerated
|
<A HREF = "Section_accelerate.html">Section_accelerate</A> of the manual. The
|
||||||
styles take the same arguments and should produce the same results,
|
accelerated styles take the same arguments and should produce the same
|
||||||
except for round-off and precision issues.
|
results, except for round-off and precision issues.
|
||||||
</P>
|
</P>
|
||||||
<P>These accelerated styles are part of the USER-CUDA package. They are
|
<P>These accelerated styles are part of the USER-CUDA package. They are
|
||||||
only enabled if LAMMPS was built with that package. See the <A HREF = "Section_start.html#start_3">Making
|
only enabled if LAMMPS was built with that package. See the <A HREF = "Section_start.html#start_3">Making
|
||||||
@ -389,8 +389,8 @@ by including their suffix, or you can use the <A HREF = "Section_start.html#star
|
|||||||
switch</A> when you invoke LAMMPS, or you can
|
switch</A> when you invoke LAMMPS, or you can
|
||||||
use the <A HREF = "suffix.html">suffix</A> command in your input script.
|
use the <A HREF = "suffix.html">suffix</A> command in your input script.
|
||||||
</P>
|
</P>
|
||||||
<P>See <A HREF = "Section_accelerate.html">this section</A> of the manual for more
|
<P>See <A HREF = "Section_accelerate.html">Section_accelerate</A> of the manual for
|
||||||
instructions on how to use the accelerated styles effectively.
|
more instructions on how to use the accelerated styles effectively.
|
||||||
</P>
|
</P>
|
||||||
<HR>
|
<HR>
|
||||||
|
|
||||||
|
|||||||
@ -366,9 +366,9 @@ thermal degrees of freedom, and the bias is added back in.
|
|||||||
Styles with a {cuda} suffix are functionally the same as the
|
Styles with a {cuda} suffix are functionally the same as the
|
||||||
corresponding style without the suffix. They have been optimized to
|
corresponding style without the suffix. They have been optimized to
|
||||||
run faster, depending on your available hardware, as discussed in
|
run faster, depending on your available hardware, as discussed in
|
||||||
"this section"_Section_accelerate.html of the manual. The accelerated
|
"Section_accelerate"_Section_accelerate.html of the manual. The
|
||||||
styles take the same arguments and should produce the same results,
|
accelerated styles take the same arguments and should produce the same
|
||||||
except for round-off and precision issues.
|
results, except for round-off and precision issues.
|
||||||
|
|
||||||
These accelerated styles are part of the USER-CUDA package. They are
|
These accelerated styles are part of the USER-CUDA package. They are
|
||||||
only enabled if LAMMPS was built with that package. See the "Making
|
only enabled if LAMMPS was built with that package. See the "Making
|
||||||
@ -379,8 +379,8 @@ by including their suffix, or you can use the "-suffix command-line
|
|||||||
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
|
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
|
||||||
use the "suffix"_suffix.html command in your input script.
|
use the "suffix"_suffix.html command in your input script.
|
||||||
|
|
||||||
See "this section"_Section_accelerate.html of the manual for more
|
See "Section_accelerate"_Section_accelerate.html of the manual for
|
||||||
instructions on how to use the accelerated styles effectively.
|
more instructions on how to use the accelerated styles effectively.
|
||||||
|
|
||||||
:line
|
:line
|
||||||
|
|
||||||
|
|||||||
@ -36,9 +36,9 @@ ensemble.
|
|||||||
<P>Styles with a <I>cuda</I> suffix are functionally the same as the
|
<P>Styles with a <I>cuda</I> suffix are functionally the same as the
|
||||||
corresponding style without the suffix. They have been optimized to
|
corresponding style without the suffix. They have been optimized to
|
||||||
run faster, depending on your available hardware, as discussed in
|
run faster, depending on your available hardware, as discussed in
|
||||||
<A HREF = "Section_accelerate.html">this section</A> of the manual. The accelerated
|
<A HREF = "Section_accelerate.html">Section_accelerate</A> of the manual. The
|
||||||
styles take the same arguments and should produce the same results,
|
accelerated styles take the same arguments and should produce the same
|
||||||
except for round-off and precision issues.
|
results, except for round-off and precision issues.
|
||||||
</P>
|
</P>
|
||||||
<P>These accelerated styles are part of the USER-CUDA package. They are
|
<P>These accelerated styles are part of the USER-CUDA package. They are
|
||||||
only enabled if LAMMPS was built with that package. See the <A HREF = "Section_start.html#start_3">Making
|
only enabled if LAMMPS was built with that package. See the <A HREF = "Section_start.html#start_3">Making
|
||||||
@ -49,8 +49,8 @@ by including their suffix, or you can use the <A HREF = "Section_start.html#star
|
|||||||
switch</A> when you invoke LAMMPS, or you can
|
switch</A> when you invoke LAMMPS, or you can
|
||||||
use the <A HREF = "suffix.html">suffix</A> command in your input script.
|
use the <A HREF = "suffix.html">suffix</A> command in your input script.
|
||||||
</P>
|
</P>
|
||||||
<P>See <A HREF = "Section_accelerate.html">this section</A> of the manual for more
|
<P>See <A HREF = "Section_accelerate.html">Section_accelerate</A> of the manual for
|
||||||
instructions on how to use the accelerated styles effectively.
|
more instructions on how to use the accelerated styles effectively.
|
||||||
</P>
|
</P>
|
||||||
<HR>
|
<HR>
|
||||||
|
|
||||||
|
|||||||
@ -32,9 +32,9 @@ ensemble.
|
|||||||
Styles with a {cuda} suffix are functionally the same as the
|
Styles with a {cuda} suffix are functionally the same as the
|
||||||
corresponding style without the suffix. They have been optimized to
|
corresponding style without the suffix. They have been optimized to
|
||||||
run faster, depending on your available hardware, as discussed in
|
run faster, depending on your available hardware, as discussed in
|
||||||
"this section"_Section_accelerate.html of the manual. The accelerated
|
"Section_accelerate"_Section_accelerate.html of the manual. The
|
||||||
styles take the same arguments and should produce the same results,
|
accelerated styles take the same arguments and should produce the same
|
||||||
except for round-off and precision issues.
|
results, except for round-off and precision issues.
|
||||||
|
|
||||||
These accelerated styles are part of the USER-CUDA package. They are
|
These accelerated styles are part of the USER-CUDA package. They are
|
||||||
only enabled if LAMMPS was built with that package. See the "Making
|
only enabled if LAMMPS was built with that package. See the "Making
|
||||||
@ -45,8 +45,8 @@ by including their suffix, or you can use the "-suffix command-line
|
|||||||
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
|
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
|
||||||
use the "suffix"_suffix.html command in your input script.
|
use the "suffix"_suffix.html command in your input script.
|
||||||
|
|
||||||
See "this section"_Section_accelerate.html of the manual for more
|
See "Section_accelerate"_Section_accelerate.html of the manual for
|
||||||
instructions on how to use the accelerated styles effectively.
|
more instructions on how to use the accelerated styles effectively.
|
||||||
|
|
||||||
:line
|
:line
|
||||||
|
|
||||||
|
|||||||
@ -55,10 +55,10 @@ where a dipole moment is assigned to particles via use of the
|
|||||||
|
|
||||||
<P>Styles with a <I>cuda</I>, <I>gpu</I>, <I>omp</I>, or <I>opt</I> suffix are functionally
|
<P>Styles with a <I>cuda</I>, <I>gpu</I>, <I>omp</I>, or <I>opt</I> suffix are functionally
|
||||||
the same as the corresponding style without the suffix. They have
|
the same as the corresponding style without the suffix. They have
|
||||||
been optimized to run faster, depending on your available hardware,
|
been optimized to run faster, depending on your available hardware, as
|
||||||
as discussed in <A HREF = "Section_accelerate.html">this section</A> of the manual.
|
discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A> of the
|
||||||
The accelerated styles take the same arguments and should produce the
|
manual. The accelerated styles take the same arguments and should
|
||||||
same results, except for round-off and precision issues.
|
produce the same results, except for round-off and precision issues.
|
||||||
</P>
|
</P>
|
||||||
<P>These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
<P>These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
||||||
packages, respectively. They are only enabled if LAMMPS was built with
|
packages, respectively. They are only enabled if LAMMPS was built with
|
||||||
@ -70,8 +70,8 @@ by including their suffix, or you can use the <A HREF = "Section_start.html#star
|
|||||||
switch</A> when you invoke LAMMPS, or you can
|
switch</A> when you invoke LAMMPS, or you can
|
||||||
use the <A HREF = "suffix.html">suffix</A> command in your input script.
|
use the <A HREF = "suffix.html">suffix</A> command in your input script.
|
||||||
</P>
|
</P>
|
||||||
<P>See <A HREF = "Section_accelerate.html">this section</A> of the manual for more
|
<P>See <A HREF = "Section_accelerate.html">Section_accelerate</A> of the manual for
|
||||||
instructions on how to use the accelerated styles effectively.
|
more instructions on how to use the accelerated styles effectively.
|
||||||
</P>
|
</P>
|
||||||
<HR>
|
<HR>
|
||||||
|
|
||||||
|
|||||||
@ -46,10 +46,10 @@ where a dipole moment is assigned to particles via use of the
|
|||||||
|
|
||||||
Styles with a {cuda}, {gpu}, {omp}, or {opt} suffix are functionally
|
Styles with a {cuda}, {gpu}, {omp}, or {opt} suffix are functionally
|
||||||
the same as the corresponding style without the suffix. They have
|
the same as the corresponding style without the suffix. They have
|
||||||
been optimized to run faster, depending on your available hardware,
|
been optimized to run faster, depending on your available hardware, as
|
||||||
as discussed in "this section"_Section_accelerate.html of the manual.
|
discussed in "Section_accelerate"_Section_accelerate.html of the
|
||||||
The accelerated styles take the same arguments and should produce the
|
manual. The accelerated styles take the same arguments and should
|
||||||
same results, except for round-off and precision issues.
|
produce the same results, except for round-off and precision issues.
|
||||||
|
|
||||||
These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
||||||
packages, respectively. They are only enabled if LAMMPS was built with
|
packages, respectively. They are only enabled if LAMMPS was built with
|
||||||
@ -61,8 +61,8 @@ by including their suffix, or you can use the "-suffix command-line
|
|||||||
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
|
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
|
||||||
use the "suffix"_suffix.html command in your input script.
|
use the "suffix"_suffix.html command in your input script.
|
||||||
|
|
||||||
See "this section"_Section_accelerate.html of the manual for more
|
See "Section_accelerate"_Section_accelerate.html of the manual for
|
||||||
instructions on how to use the accelerated styles effectively.
|
more instructions on how to use the accelerated styles effectively.
|
||||||
|
|
||||||
:line
|
:line
|
||||||
|
|
||||||
|
|||||||
@ -72,10 +72,10 @@ equilibration calculation is written to the specifed file.
|
|||||||
|
|
||||||
<P>Styles with a <I>cuda</I>, <I>gpu</I>, <I>omp</I>, or <I>opt</I> suffix are functionally
|
<P>Styles with a <I>cuda</I>, <I>gpu</I>, <I>omp</I>, or <I>opt</I> suffix are functionally
|
||||||
the same as the corresponding style without the suffix. They have
|
the same as the corresponding style without the suffix. They have
|
||||||
been optimized to run faster, depending on your available hardware,
|
been optimized to run faster, depending on your available hardware, as
|
||||||
as discussed in <A HREF = "Section_accelerate.html">this section</A> of the manual.
|
discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A> of the
|
||||||
The accelerated styles take the same arguments and should produce the
|
manual. The accelerated styles take the same arguments and should
|
||||||
same results, except for round-off and precision issues.
|
produce the same results, except for round-off and precision issues.
|
||||||
</P>
|
</P>
|
||||||
<P>These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
<P>These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
||||||
packages, respectively. They are only enabled if LAMMPS was built with
|
packages, respectively. They are only enabled if LAMMPS was built with
|
||||||
@ -87,8 +87,8 @@ by including their suffix, or you can use the <A HREF = "Section_start.html#star
|
|||||||
switch</A> when you invoke LAMMPS, or you can
|
switch</A> when you invoke LAMMPS, or you can
|
||||||
use the <A HREF = "suffix.html">suffix</A> command in your input script.
|
use the <A HREF = "suffix.html">suffix</A> command in your input script.
|
||||||
</P>
|
</P>
|
||||||
<P>See <A HREF = "Section_accelerate.html">this section</A> of the manual for more
|
<P>See <A HREF = "Section_accelerate.html">Section_accelerate</A> of the manual for
|
||||||
instructions on how to use the accelerated styles effectively.
|
more instructions on how to use the accelerated styles effectively.
|
||||||
</P>
|
</P>
|
||||||
<HR>
|
<HR>
|
||||||
|
|
||||||
|
|||||||
@ -61,10 +61,10 @@ equilibration calculation is written to the specifed file.
|
|||||||
|
|
||||||
Styles with a {cuda}, {gpu}, {omp}, or {opt} suffix are functionally
|
Styles with a {cuda}, {gpu}, {omp}, or {opt} suffix are functionally
|
||||||
the same as the corresponding style without the suffix. They have
|
the same as the corresponding style without the suffix. They have
|
||||||
been optimized to run faster, depending on your available hardware,
|
been optimized to run faster, depending on your available hardware, as
|
||||||
as discussed in "this section"_Section_accelerate.html of the manual.
|
discussed in "Section_accelerate"_Section_accelerate.html of the
|
||||||
The accelerated styles take the same arguments and should produce the
|
manual. The accelerated styles take the same arguments and should
|
||||||
same results, except for round-off and precision issues.
|
produce the same results, except for round-off and precision issues.
|
||||||
|
|
||||||
These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
||||||
packages, respectively. They are only enabled if LAMMPS was built with
|
packages, respectively. They are only enabled if LAMMPS was built with
|
||||||
@ -76,8 +76,8 @@ by including their suffix, or you can use the "-suffix command-line
|
|||||||
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
|
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
|
||||||
use the "suffix"_suffix.html command in your input script.
|
use the "suffix"_suffix.html command in your input script.
|
||||||
|
|
||||||
See "this section"_Section_accelerate.html of the manual for more
|
See "Section_accelerate"_Section_accelerate.html of the manual for
|
||||||
instructions on how to use the accelerated styles effectively.
|
more instructions on how to use the accelerated styles effectively.
|
||||||
|
|
||||||
:line
|
:line
|
||||||
|
|
||||||
|
|||||||
@ -79,9 +79,9 @@ to it.
|
|||||||
<P>Styles with a <I>cuda</I> suffix are functionally the same as the
|
<P>Styles with a <I>cuda</I> suffix are functionally the same as the
|
||||||
corresponding style without the suffix. They have been optimized to
|
corresponding style without the suffix. They have been optimized to
|
||||||
run faster, depending on your available hardware, as discussed in
|
run faster, depending on your available hardware, as discussed in
|
||||||
<A HREF = "Section_accelerate.html">this section</A> of the manual. The accelerated
|
<A HREF = "Section_accelerate.html">Section_accelerate</A> of the manual. The
|
||||||
styles take the same arguments and should produce the same results,
|
accelerated styles take the same arguments and should produce the same
|
||||||
except for round-off and precision issues.
|
results, except for round-off and precision issues.
|
||||||
</P>
|
</P>
|
||||||
<P>These accelerated styles are part of the USER-CUDA package. They are
|
<P>These accelerated styles are part of the USER-CUDA package. They are
|
||||||
only enabled if LAMMPS was built with that package. See the <A HREF = "Section_start.html#start_3">Making
|
only enabled if LAMMPS was built with that package. See the <A HREF = "Section_start.html#start_3">Making
|
||||||
@ -92,8 +92,8 @@ by including their suffix, or you can use the <A HREF = "Section_start.html#star
|
|||||||
switch</A> when you invoke LAMMPS, or you can
|
switch</A> when you invoke LAMMPS, or you can
|
||||||
use the <A HREF = "suffix.html">suffix</A> command in your input script.
|
use the <A HREF = "suffix.html">suffix</A> command in your input script.
|
||||||
</P>
|
</P>
|
||||||
<P>See <A HREF = "Section_accelerate.html">this section</A> of the manual for more
|
<P>See <A HREF = "Section_accelerate.html">Section_accelerate</A> of the manual for
|
||||||
instructions on how to use the accelerated styles effectively.
|
more instructions on how to use the accelerated styles effectively.
|
||||||
</P>
|
</P>
|
||||||
<HR>
|
<HR>
|
||||||
|
|
||||||
|
|||||||
@ -68,9 +68,9 @@ to it.
|
|||||||
Styles with a {cuda} suffix are functionally the same as the
|
Styles with a {cuda} suffix are functionally the same as the
|
||||||
corresponding style without the suffix. They have been optimized to
|
corresponding style without the suffix. They have been optimized to
|
||||||
run faster, depending on your available hardware, as discussed in
|
run faster, depending on your available hardware, as discussed in
|
||||||
"this section"_Section_accelerate.html of the manual. The accelerated
|
"Section_accelerate"_Section_accelerate.html of the manual. The
|
||||||
styles take the same arguments and should produce the same results,
|
accelerated styles take the same arguments and should produce the same
|
||||||
except for round-off and precision issues.
|
results, except for round-off and precision issues.
|
||||||
|
|
||||||
These accelerated styles are part of the USER-CUDA package. They are
|
These accelerated styles are part of the USER-CUDA package. They are
|
||||||
only enabled if LAMMPS was built with that package. See the "Making
|
only enabled if LAMMPS was built with that package. See the "Making
|
||||||
@ -81,8 +81,8 @@ by including their suffix, or you can use the "-suffix command-line
|
|||||||
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
|
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
|
||||||
use the "suffix"_suffix.html command in your input script.
|
use the "suffix"_suffix.html command in your input script.
|
||||||
|
|
||||||
See "this section"_Section_accelerate.html of the manual for more
|
See "Section_accelerate"_Section_accelerate.html of the manual for
|
||||||
instructions on how to use the accelerated styles effectively.
|
more instructions on how to use the accelerated styles effectively.
|
||||||
|
|
||||||
:line
|
:line
|
||||||
|
|
||||||
|
|||||||
@ -93,9 +93,9 @@ for.
|
|||||||
<P>Styles with a <I>cuda</I> suffix are functionally the same as the
|
<P>Styles with a <I>cuda</I> suffix are functionally the same as the
|
||||||
corresponding style without the suffix. They have been optimized to
|
corresponding style without the suffix. They have been optimized to
|
||||||
run faster, depending on your available hardware, as discussed in
|
run faster, depending on your available hardware, as discussed in
|
||||||
<A HREF = "Section_accelerate.html">this section</A> of the manual. The accelerated
|
<A HREF = "Section_accelerate.html">Section_accelerate</A> of the manual. The
|
||||||
styles take the same arguments and should produce the same results,
|
accelerated styles take the same arguments and should produce the same
|
||||||
except for round-off and precision issues.
|
results, except for round-off and precision issues.
|
||||||
</P>
|
</P>
|
||||||
<P>These accelerated styles are part of the USER-CUDA package. They are
|
<P>These accelerated styles are part of the USER-CUDA package. They are
|
||||||
only enabled if LAMMPS was built with that package. See the <A HREF = "Section_start.html#start_3">Making
|
only enabled if LAMMPS was built with that package. See the <A HREF = "Section_start.html#start_3">Making
|
||||||
@ -106,8 +106,8 @@ by including their suffix, or you can use the <A HREF = "Section_start.html#star
|
|||||||
switch</A> when you invoke LAMMPS, or you can
|
switch</A> when you invoke LAMMPS, or you can
|
||||||
use the <A HREF = "suffix.html">suffix</A> command in your input script.
|
use the <A HREF = "suffix.html">suffix</A> command in your input script.
|
||||||
</P>
|
</P>
|
||||||
<P>See <A HREF = "Section_accelerate.html">this section</A> of the manual for more
|
<P>See <A HREF = "Section_accelerate.html">Section_accelerate</A> of the manual for
|
||||||
instructions on how to use the accelerated styles effectively.
|
more instructions on how to use the accelerated styles effectively.
|
||||||
</P>
|
</P>
|
||||||
<HR>
|
<HR>
|
||||||
|
|
||||||
|
|||||||
@ -81,9 +81,9 @@ for.
|
|||||||
Styles with a {cuda} suffix are functionally the same as the
|
Styles with a {cuda} suffix are functionally the same as the
|
||||||
corresponding style without the suffix. They have been optimized to
|
corresponding style without the suffix. They have been optimized to
|
||||||
run faster, depending on your available hardware, as discussed in
|
run faster, depending on your available hardware, as discussed in
|
||||||
"this section"_Section_accelerate.html of the manual. The accelerated
|
"Section_accelerate"_Section_accelerate.html of the manual. The
|
||||||
styles take the same arguments and should produce the same results,
|
accelerated styles take the same arguments and should produce the same
|
||||||
except for round-off and precision issues.
|
results, except for round-off and precision issues.
|
||||||
|
|
||||||
These accelerated styles are part of the USER-CUDA package. They are
|
These accelerated styles are part of the USER-CUDA package. They are
|
||||||
only enabled if LAMMPS was built with that package. See the "Making
|
only enabled if LAMMPS was built with that package. See the "Making
|
||||||
@ -94,8 +94,8 @@ by including their suffix, or you can use the "-suffix command-line
|
|||||||
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
|
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
|
||||||
use the "suffix"_suffix.html command in your input script.
|
use the "suffix"_suffix.html command in your input script.
|
||||||
|
|
||||||
See "this section"_Section_accelerate.html of the manual for more
|
See "Section_accelerate"_Section_accelerate.html of the manual for
|
||||||
instructions on how to use the accelerated styles effectively.
|
more instructions on how to use the accelerated styles effectively.
|
||||||
|
|
||||||
:line
|
:line
|
||||||
|
|
||||||
|
|||||||
@ -100,9 +100,9 @@ thermal degrees of freedom, and the bias is added back in.
|
|||||||
<P>Styles with a <I>cuda</I> suffix are functionally the same as the
|
<P>Styles with a <I>cuda</I> suffix are functionally the same as the
|
||||||
corresponding style without the suffix. They have been optimized to
|
corresponding style without the suffix. They have been optimized to
|
||||||
run faster, depending on your available hardware, as discussed in
|
run faster, depending on your available hardware, as discussed in
|
||||||
<A HREF = "Section_accelerate.html">this section</A> of the manual. The accelerated
|
<A HREF = "Section_accelerate.html">Section_accelerate</A> of the manual. The
|
||||||
styles take the same arguments and should produce the same results,
|
accelerated styles take the same arguments and should produce the same
|
||||||
except for round-off and precision issues.
|
results, except for round-off and precision issues.
|
||||||
</P>
|
</P>
|
||||||
<P>These accelerated styles are part of the USER-CUDA package. They are
|
<P>These accelerated styles are part of the USER-CUDA package. They are
|
||||||
only enabled if LAMMPS was built with that package. See the <A HREF = "Section_start.html#start_3">Making
|
only enabled if LAMMPS was built with that package. See the <A HREF = "Section_start.html#start_3">Making
|
||||||
@ -113,8 +113,8 @@ by including their suffix, or you can use the <A HREF = "Section_start.html#star
|
|||||||
switch</A> when you invoke LAMMPS, or you can
|
switch</A> when you invoke LAMMPS, or you can
|
||||||
use the <A HREF = "suffix.html">suffix</A> command in your input script.
|
use the <A HREF = "suffix.html">suffix</A> command in your input script.
|
||||||
</P>
|
</P>
|
||||||
<P>See <A HREF = "Section_accelerate.html">this section</A> of the manual for more
|
<P>See <A HREF = "Section_accelerate.html">Section_accelerate</A> of the manual for
|
||||||
instructions on how to use the accelerated styles effectively.
|
more instructions on how to use the accelerated styles effectively.
|
||||||
</P>
|
</P>
|
||||||
<HR>
|
<HR>
|
||||||
|
|
||||||
|
|||||||
@ -96,9 +96,9 @@ thermal degrees of freedom, and the bias is added back in.
|
|||||||
Styles with a {cuda} suffix are functionally the same as the
|
Styles with a {cuda} suffix are functionally the same as the
|
||||||
corresponding style without the suffix. They have been optimized to
|
corresponding style without the suffix. They have been optimized to
|
||||||
run faster, depending on your available hardware, as discussed in
|
run faster, depending on your available hardware, as discussed in
|
||||||
"this section"_Section_accelerate.html of the manual. The accelerated
|
"Section_accelerate"_Section_accelerate.html of the manual. The
|
||||||
styles take the same arguments and should produce the same results,
|
accelerated styles take the same arguments and should produce the same
|
||||||
except for round-off and precision issues.
|
results, except for round-off and precision issues.
|
||||||
|
|
||||||
These accelerated styles are part of the USER-CUDA package. They are
|
These accelerated styles are part of the USER-CUDA package. They are
|
||||||
only enabled if LAMMPS was built with that package. See the "Making
|
only enabled if LAMMPS was built with that package. See the "Making
|
||||||
@ -109,8 +109,8 @@ by including their suffix, or you can use the "-suffix command-line
|
|||||||
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
|
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
|
||||||
use the "suffix"_suffix.html command in your input script.
|
use the "suffix"_suffix.html command in your input script.
|
||||||
|
|
||||||
See "this section"_Section_accelerate.html of the manual for more
|
See "Section_accelerate"_Section_accelerate.html of the manual for
|
||||||
instructions on how to use the accelerated styles effectively.
|
more instructions on how to use the accelerated styles effectively.
|
||||||
|
|
||||||
:line
|
:line
|
||||||
|
|
||||||
|
|||||||
Some files were not shown because too many files have changed in this diff Show More
Reference in New Issue
Block a user